(9S,11S)-3-But-2-ynyl-N-[2-(dimethylamino)ethyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
13339
Reference
(9S,11S)-3-But-2-ynyl-N-[2-(dimethylamino)ethyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide Structure
Systematic / IUPAC Name: (4S,6S)-1-(2-Butyn-1-yl)-N-[2-(dimethylamino)ethyl]-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide
ID: Reference13339
Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 1-(2-butyn-1-yl)-N-[2-(dimethylamino)ethyl]-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)-
Formula: C24H34N4O
Spectral Data
(9S,11S)-3-But-2-ynyl-N-[2-(dimethylamino)ethyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-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 | 3375 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/7/2025 12:19:47 PM |
Identificators
| InChI | InChI=1S/C24H34N4O/c1-6-7-12-28-16-18-15-21(24(29)25-11-13-27(4)5)26-20(14-17(2)3)19-9-8-10-22(28)23(18)19/h8-10,16-17,20-21,26H,11-15H2,1-5H3,(H,25,29)/t20-,21-/m0/s1 |
| InChI Key | GBGZSFNPAJKUPR-SFTDATJTSA-N |
| Canonical SMILES | CC#CCN1C=C2CC(NC(C3=C2C1=CC=C3)CC(C)C)C(=O)NCCN(C)C |
| CAS | |
| Splash | |
| Other Names | 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 1-(2-butyn-1-yl)-N-[2-(dimethylamino)ethyl]-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)- |