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

ID: Reference9107

Other Names: NAT15-330852;
Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(2-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2S,4S,6S,12bR)-

Formula: C27H31FN4O3

Spectral Data

Methyl (2S,4S,6S,12bR)-2-[(2-acetamidoethyl)amino]-4-(2-fluorophenyl)-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 1429
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2019 1:43:16 PM
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Identificators

InChI InChI=1S/C27H31FN4O3/c1-16(33)29-11-12-30-17-13-23(19-8-3-5-9-21(19)28)32-24(14-17)26-20(15-25(32)27(34)35-2)18-7-4-6-10-22(18)31-26/h3-10,17,23-25,30-31H,11-15H2,1-2H3,(H,29,33)/t17-,23-,24+,25-/m0/s1
InChI Key MGXYTULNMXEFNW-FHTWRSQISA-N
Canonical SMILES CC(=O)NCCNC1CC(N2C(C1)C3=C(CC2C(=O)OC)C4=CC=CC=C4N3)C5=CC=CC=C5F
CAS
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Other Names NAT15-330852;
Indolo[2,3-a]quinolizine-6-carboxylic acid, 2-[[2-(acetylamino)ethyl]amino]-4-(2-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-, methyl ester, (2S,4S,6S,12bR)-

In Other Databases

ChemSpider 21385461
PubChem 25389733