N-[(1S,11aS)-8-Chloro-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide
11833
Reference
N-[(1S,11aS)-8-Chloro-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide Structure
Systematic / IUPAC Name: N-[(6aS,7S)-3-Chloro-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-methylsulfanylacetamide
ID: Reference11833
Other Names: NAT3-328179
Formula: C15H16ClN3O3S
Spectral Data
N-[(1S,11aS)-8-Chloro-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)acetamide 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 | 1243 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/10/2022 1:43:45 PM |
Identificators
| InChI | InChI=1S/C15H16ClN3O3S/c1-23-7-12(20)17-10-4-5-19-13(10)14(21)18-11-6-8(16)2-3-9(11)15(19)22/h2-3,6,10,13H,4-5,7H2,1H3,(H,17,20)(H,18,21)/t10-,13-/m0/s1 |
| InChI Key | RLQBGJWLSOJZNW-GWCFXTLKSA-N |
| Canonical SMILES | CSCC(=O)NC1CCN2C1C(=O)NC3=C(C2=O)C=CC(=C3)Cl |
| CAS | |
| Splash | |
| Other Names | NAT3-328179 |