(4S,6S)-1-Allyl-6-isobutyl-N-(4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

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

ID: Reference11632

Other Names: NAT33-501312

Formula: C27H33N3O2

Spectral Data

(4S,6S)-1-Allyl-6-isobutyl-N-(4-methoxybenzyl)-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 1
No. of Spectra 2863
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2022 7:39:15 AM
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Identificators

InChI InChI=1S/C27H33N3O2/c1-5-13-30-17-20-15-24(27(31)28-16-19-9-11-21(32-4)12-10-19)29-23(14-18(2)3)22-7-6-8-25(30)26(20)22/h5-12,17-18,23-24,29H,1,13-16H2,2-4H3,(H,28,31)/t23-,24-/m0/s1
InChI Key YMMZNDPQRGEIPV-ZEQRLZLVSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)NCC4=CC=C(C=C4)OC
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Other Names NAT33-501312

In Other Databases

ChemSpider 29851061
PubChem 51138127