[(4S,6S)-1-(2-Butyn-1-yl)-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl](4-hydroxy-1-piperidinyl)methanone

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

ID: Reference11653

Other Names: NAT33-501663

Formula: C25H33N3O2

Spectral Data

[(4S,6S)-1-(2-Butyn-1-yl)-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl](4-hydroxy-1-piperidinyl)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 2996
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2022 11:08:18 AM
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Identificators

InChI InChI=1S/C25H33N3O2/c1-4-5-11-28-16-18-15-22(25(30)27-12-9-19(29)10-13-27)26-21(14-17(2)3)20-7-6-8-23(28)24(18)20/h6-8,16-17,19,21-22,26,29H,9-15H2,1-3H3/t21-,22-/m0/s1
InChI Key TVZFOGAPBUKDII-VXKWHMMOSA-N
Canonical SMILES CC#CCN1C=C2CC(NC(C3=C2C1=CC=C3)CC(C)C)C(=O)N4CCC(CC4)O
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Other Names NAT33-501663

In Other Databases

ChemSpider 29851097
PubChem 51138172