(4S,6S)-1-(2-Butyn-1-yl)-6-isobutyl-N-(2-propyn-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide
11656
Reference
(4S,6S)-1-(2-Butyn-1-yl)-6-isobutyl-N-(2-propyn-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide Structure
Systematic / IUPAC Name: (9S,11S)-3-But-2-ynyl-9-(2-methylpropyl)-N-prop-2-ynyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
ID: Reference11656
Other Names: NAT33-501140
Formula: C23H27N3O
Spectral Data
(4S,6S)-1-(2-Butyn-1-yl)-6-isobutyl-N-(2-propyn-1-yl)-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 | 3186 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/16/2022 11:27:46 AM |
Identificators
| InChI | InChI=1S/C23H27N3O/c1-5-7-12-26-15-17-14-20(23(27)24-11-6-2)25-19(13-16(3)4)18-9-8-10-21(26)22(17)18/h2,8-10,15-16,19-20,25H,11-14H2,1,3-4H3,(H,24,27)/t19-,20-/m0/s1 |
| InChI Key | QHYVZOYHXSJQQI-PMACEKPBSA-N |
| Canonical SMILES | CC#CCN1C=C2CC(NC(C3=C2C1=CC=C3)CC(C)C)C(=O)NCC#C |
| CAS | |
| Splash | |
| Other Names | NAT33-501140 |