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

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Systematic / IUPAC Name: (9S,11S)-N-(Cyclopropylmethyl)-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: Reference12541

Other Names: NAT33-501299

Formula: C23H31N3O

Spectral Data

(4S,6S)-1-Allyl-N-(cyclopropylmethyl)-6-isobutyl-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 3136
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2023 1:04:38 PM
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Identificators

InChI InChI=1S/C23H31N3O/c1-4-10-26-14-17-12-20(23(27)24-13-16-8-9-16)25-19(11-15(2)3)18-6-5-7-21(26)22(17)18/h4-7,14-16,19-20,25H,1,8-13H2,2-3H3,(H,24,27)/t19-,20-/m0/s1
InChI Key OQYMWESQKDOQRS-PMACEKPBSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)NCC4CC4
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Other Names NAT33-501299

In Other Databases

ChemSpider 29851051
PubChem 51138117