Methyl (2S,4S,6S,12bS)-2-[(2-hydroxyethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-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)-2-(2-hydroxyethylamino)-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

ID: Reference9112

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 1,2,3,4,6,7,12,12b-octahydro-2-[(2-hydroxyethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331054

Formula: C26H28F3N3O4

Spectral Data

Methyl (2S,4S,6S,12bS)-2-[(2-hydroxyethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-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 3751
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2019 1:51:17 PM
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Identificators

InChI InChI=1S/C26H28F3N3O4/c1-35-25(34)23-14-19-18-4-2-3-5-20(18)31-24(19)22-13-16(30-10-11-33)12-21(32(22)23)15-6-8-17(9-7-15)36-26(27,28)29/h2-9,16,21-23,30-31,33H,10-14H2,1H3/t16-,21-,22-,23-/m0/s1
InChI Key NNHKJUJLKYXYAK-KKPKCPPISA-N
Canonical SMILES COC(=O)C1CC2=C(C3N1C(CC(C3)NCCO)C4=CC=C(C=C4)OC(F)(F)F)NC5=CC=CC=C25
CAS
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 1,2,3,4,6,7,12,12b-octahydro-2-[(2-hydroxyethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331054

In Other Databases

PubChem 25389753
ChemSpider 21385469