Methyl (2S,4S,6S,12bS)-4-(3,4-difluorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

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Systematic / IUPAC Name: Methyl (2S,4S,6S,12bS)-4-(3,4-difluorophenyl)-2-(3-imidazol-1-ylpropylamino)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

ID: Reference9113

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(3,4-difluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331246

Formula: C29H31F2N5O2

Spectral Data

Methyl (2S,4S,6S,12bS)-4-(3,4-difluorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1603
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/29/2023 10:21:53 AM
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Identificators

InChI InChI=1S/C29H31F2N5O2/c1-38-29(37)27-16-21-20-5-2-3-6-24(20)34-28(21)26-15-19(33-9-4-11-35-12-10-32-17-35)14-25(36(26)27)18-7-8-22(30)23(31)13-18/h2-3,5-8,10,12-13,17,19,25-27,33-34H,4,9,11,14-16H2,1H3/t19-,25-,26-,27-/m0/s1
InChI Key UTKHDUBDDKASEQ-UFZSTKPESA-N
Canonical SMILES COC(=O)C1CC2=C(C3N1C(CC(C3)NCCCN4C=CN=C4)C5=CC(=C(C=C5)F)F)NC6=CC=CC=C26
CAS
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(3,4-difluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331246

In Other Databases

ChemSpider 21385495
PubChem 44716528