(4S,6S)-1-Allyl-6-isobutyl-N-(2-methoxyethyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

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Systematic / IUPAC Name: (9S,11S)-N-(2-Methoxyethyl)-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: Reference11631

Other Names: NAT33-501311

Formula: C22H31N3O2

Spectral Data

(4S,6S)-1-Allyl-6-isobutyl-N-(2-methoxyethyl)-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 3073
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2022 7:34:07 AM
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Identificators

InChI InChI=1S/C22H31N3O2/c1-5-10-25-14-16-13-19(22(26)23-9-11-27-4)24-18(12-15(2)3)17-7-6-8-20(25)21(16)17/h5-8,14-15,18-19,24H,1,9-13H2,2-4H3,(H,23,26)/t18-,19-/m0/s1
InChI Key PIBMECLPDZJQAJ-OALUTQOASA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)NCCOC
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Other Names NAT33-501311

In Other Databases

ChemSpider 29851060
PubChem 51138126