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

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

ID: Reference9984

Other Names: Methanone, [4-(2-pyrimidinyl)-1-piperazinyl][(4S,6S)-3,4,5,6-tetrahydro-6-(2-methylpropyl)-1H-azepino[5,4,3-cd]indol-4-yl]-;
NAT33-475003

Formula: C24H30N6O

Spectral Data

[(4S,6S)-6-Isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl][4-(2-pyrimidinyl)-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 2
No. of Spectra 3420
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2020 10:13:31 AM
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Identificators

InChI InChI=1S/C24H30N6O/c1-16(2)13-20-18-5-3-6-19-22(18)17(15-27-19)14-21(28-20)23(31)29-9-11-30(12-10-29)24-25-7-4-8-26-24/h3-8,15-16,20-21,27-28H,9-14H2,1-2H3/t20-,21-/m0/s1
InChI Key ZCAUATQZRVYYIM-SFTDATJTSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)N4CCN(CC4)C5=NC=CC=N5
CAS
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Other Names Methanone, [4-(2-pyrimidinyl)-1-piperazinyl][(4S,6S)-3,4,5,6-tetrahydro-6-(2-methylpropyl)-1H-azepino[5,4,3-cd]indol-4-yl]-;
NAT33-475003

In Other Databases

PubChem 51137976
ChemSpider 29850925