Methyl (2R,4S,6S,12bS)-2-[(2-acetamidoethyl)amino]-4-(3,4-difluorophenyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

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

ID: Reference9106

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(3,4-difluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2R,4S,6S,12bS)-;
NAT15-331256

Formula: C27H30F2N4O3

Spectral Data

Methyl (2R,4S,6S,12bS)-2-[(2-acetamidoethyl)amino]-4-(3,4-difluorophenyl)-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 1891
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2019 1:36:00 PM
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Identificators

InChI InChI=1S/C27H30F2N4O3/c1-15(34)30-9-10-31-17-12-23(16-7-8-20(28)21(29)11-16)33-24(13-17)26-19(14-25(33)27(35)36-2)18-5-3-4-6-22(18)32-26/h3-8,11,17,23-25,31-32H,9-10,12-14H2,1-2H3,(H,30,34)/t17-,23+,24+,25+/m1/s1
InChI Key YOLBLPLZAWWVJM-XPVKZQAGSA-N
Canonical SMILES CC(=O)NCCNC1CC(N2C(C1)C3=C(CC2C(=O)OC)C4=CC=CC=C4N3)C5=CC(=C(C=C5)F)F
CAS
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(3,4-difluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2R,4S,6S,12bS)-;
NAT15-331256

In Other Databases

PubChem 25389792
ChemSpider 21385496