[(4S,6S)-1-Allyl-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-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]methanone

ID: Reference11634

Other Names: NAT33-501314

Formula: C24H34N4O

Spectral Data

[(4S,6S)-1-Allyl-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 2607
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2022 8:04:50 AM
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Identificators

InChI InChI=1S/C24H34N4O/c1-5-9-28-16-18-15-21(24(29)27-12-10-26(4)11-13-27)25-20(14-17(2)3)19-7-6-8-22(28)23(18)19/h5-8,16-17,20-21,25H,1,9-15H2,2-4H3/t20-,21-/m0/s1
InChI Key ANMMIERXEPKFIR-SFTDATJTSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)N4CCN(CC4)C
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Other Names NAT33-501314

In Other Databases

ChemSpider 29851063
PubChem 51138129