{(4S,6S)-6-Isobutyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl}(4-morpholinyl)methanone
11680
Reference
{(4S,6S)-6-Isobutyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl}(4-morpholinyl)methanone Structure
Systematic / IUPAC Name: [(9S,11S)-3-[(1-Methylimidazol-2-yl)methyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]-morpholin-4-ylmethanone
ID: Reference11680
Other Names: NAT33-501208
Formula: C25H33N5O2
Spectral Data
{(4S,6S)-6-Isobutyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-4-yl}(4-morpholinyl)methanone 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 | 3190 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/22/2022 8:35:37 AM |
Identificators
| InChI | InChI=1S/C25H33N5O2/c1-17(2)13-20-19-5-4-6-22-24(19)18(15-30(22)16-23-26-7-8-28(23)3)14-21(27-20)25(31)29-9-11-32-12-10-29/h4-8,15,17,20-21,27H,9-14,16H2,1-3H3/t20-,21-/m0/s1 |
| InChI Key | KWZBNZLKEWWQKK-SFTDATJTSA-N |
| Canonical SMILES | CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=NC=CN4C)CC(N1)C(=O)N5CCOCC5 |
| CAS | |
| Splash | |
| Other Names | NAT33-501208 |