(4S,6S)-6-Isobutyl-N-propyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

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Systematic / IUPAC Name: (9S,11S)-9-(2-Methylpropyl)-N-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference10158

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-6-(2-methylpropyl)-N-propyl-, (4S,6S)-;
NAT33-474993

Formula: C19H27N3O

Spectral Data

(4S,6S)-6-Isobutyl-N-propyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide 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
No. of Spectral Trees 2
No. of Spectra 4299
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 12:35:02 PM
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Identificators

InChI InChI=1S/C19H27N3O/c1-4-8-20-19(23)17-10-13-11-21-15-7-5-6-14(18(13)15)16(22-17)9-12(2)3/h5-7,11-12,16-17,21-22H,4,8-10H2,1-3H3,(H,20,23)/t16-,17-/m0/s1
InChI Key OOONPRFMHDOUGP-IRXDYDNUSA-N
Canonical SMILES CCCNC(=O)C1CC2=CNC3=CC=CC(=C23)C(N1)CC(C)C
CAS
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Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-6-(2-methylpropyl)-N-propyl-, (4S,6S)-;
NAT33-474993

In Other Databases

PubChem 51137970
ChemSpider 29850919