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

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Systematic / IUPAC Name: (4-Methylpiperazin-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: Reference11659

Other Names: NAT33-474986

Formula: C21H30N4O

Spectral Data

[(4S,6S)-6-Isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl](4-methyl-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 2692
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2022 11:37:21 AM
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Identificators

InChI InChI=1S/C21H30N4O/c1-14(2)11-18-16-5-4-6-17-20(16)15(13-22-17)12-19(23-18)21(26)25-9-7-24(3)8-10-25/h4-6,13-14,18-19,22-23H,7-12H2,1-3H3/t18-,19-/m0/s1
InChI Key BYMXISHXKNUNFZ-OALUTQOASA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)N4CCN(CC4)C
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Other Names NAT33-474986

In Other Databases

PubChem 51137965
ChemSpider 29850914