Methyl (2R,4S,6S,12bR)-2-[(2-acetamidoethyl)amino]-4-[4-(trifluoromethyl)phenyl]-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,12bR)-2-(2-acetamidoethylamino)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

ID: Reference9143

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-1,2,3,4,6,7,12,12b-octahydro-4-[4-(trifluoromethyl)phenyl]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330499

Formula: C28H31F3N4O3

Spectral Data

Methyl (2R,4S,6S,12bR)-2-[(2-acetamidoethyl)amino]-4-[4-(trifluoromethyl)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 3270
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 11:14:39 AM
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Identificators

InChI InChI=1S/C28H31F3N4O3/c1-16(36)32-11-12-33-19-13-23(17-7-9-18(10-8-17)28(29,30)31)35-24(14-19)26-21(15-25(35)27(37)38-2)20-5-3-4-6-22(20)34-26/h3-10,19,23-25,33-34H,11-15H2,1-2H3,(H,32,36)/t19-,23+,24-,25+/m1/s1
InChI Key XZMUCBYZRPJNJN-MNVNNWCQSA-N
Canonical SMILES CC(=O)NCCNC1CC(N2C(C1)C3=C(CC2C(=O)OC)C4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-1,2,3,4,6,7,12,12b-octahydro-4-[4-(trifluoromethyl)phenyl]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330499

In Other Databases

PubChem 40780321
ChemSpider 21385362