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

ID: Reference9134

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(3-chlorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331036

Formula: C27H31ClN4O3

Spectral Data

Methyl (2S,4S,6S,12bS)-2-[(2-acetamidoethyl)amino]-4-(3-chlorophenyl)-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 1742
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 9:55:31 AM
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Identificators

InChI InChI=1S/C27H31ClN4O3/c1-16(33)29-10-11-30-19-13-23(17-6-5-7-18(28)12-17)32-24(14-19)26-21(15-25(32)27(34)35-2)20-8-3-4-9-22(20)31-26/h3-9,12,19,23-25,30-31H,10-11,13-15H2,1-2H3,(H,29,33)/t19-,23-,24-,25-/m0/s1
InChI Key QZIDWNJPYWYCNN-KMAVCZJNSA-N
Canonical SMILES CC(=O)NCCNC1CC(N2C(C1)C3=C(CC2C(=O)OC)C4=CC=CC=C4N3)C5=CC(=CC=C5)Cl
CAS
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(3-chlorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2S,4S,6S,12bS)-;
NAT15-331036

In Other Databases

PubChem 25389742
ChemSpider 21385465