(4S,6S)-N-Cyclobutyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide
12962
Reference
(4S,6S)-N-Cyclobutyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide Structure
Systematic / IUPAC Name: (9S,11S)-N-Cyclobutyl-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
ID: Reference12962
Other Names: NAT33-474974
Formula: C20H27N3O
Spectral Data
(4S,6S)-N-Cyclobutyl-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2061 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/9/2024 1:30:28 PM |
Identificators
| InChI | InChI=1S/C20H27N3O/c1-12(2)9-17-15-7-4-8-16-19(15)13(11-21-16)10-18(23-17)20(24)22-14-5-3-6-14/h4,7-8,11-12,14,17-18,21,23H,3,5-6,9-10H2,1-2H3,(H,22,24)/t17-,18-/m0/s1 |
| InChI Key | UBQLBGCQDVZNEM-ROUUACIJSA-N |
| Canonical SMILES | CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)NC4CCC4 |
| CAS | |
| Splash | |
| Other Names | NAT33-474974 |