[(4S,6S)-6-Isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl][4-(2-methoxyethyl)-1-piperazinyl]methanone

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Systematic / IUPAC Name: [4-(2-Methoxyethyl)piperazin-1-yl]-[(9S,11S)-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]methanone

ID: Reference12956

Other Names: NAT33-475005

Formula: C23H34N4O2

Spectral Data

[(4S,6S)-6-Isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl][4-(2-methoxyethyl)-1-piperazinyl]methanone 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 703
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/5/2024 10:25:30 AM
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Identificators

InChI InChI=1S/C23H34N4O2/c1-16(2)13-20-18-5-4-6-19-22(18)17(15-24-19)14-21(25-20)23(28)27-9-7-26(8-10-27)11-12-29-3/h4-6,15-16,20-21,24-25H,7-14H2,1-3H3/t20-,21-/m0/s1
InChI Key VTETWYWOVORYDD-SFTDATJTSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)N4CCN(CC4)CCOC
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Other Names NAT33-475005

In Other Databases

PubChem 51137977
ChemSpider 29850926