CID 206836
9-chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride
Structural Information
- Molecular Formula
- C17H17ClN2
- SMILES
- C1CN2CCC3=C2C(=CC(=C3)Cl)NC1C4=CC=CC=C4
- InChI
- InChI=1S/C17H17ClN2/c18-14-10-13-6-8-20-9-7-15(12-4-2-1-3-5-12)19-16(11-14)17(13)20/h1-5,10-11,15,19H,6-9H2
- InChIKey
- WWZSDFSSOQFVKE-UHFFFAOYSA-N
- Compound name
- 6-chloro-10-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.11531 | 166.7 |
[M+Na]+ | 307.09725 | 175.0 |
[M-H]- | 283.10075 | 171.2 |
[M+NH4]+ | 302.14185 | 183.3 |
[M+K]+ | 323.07119 | 170.3 |
[M+H-H2O]+ | 267.10529 | 158.7 |
[M+HCOO]- | 329.10623 | 177.6 |
[M+CH3COO]- | 343.12188 | 176.8 |
[M+Na-2H]- | 305.08270 | 170.0 |
[M]+ | 284.10748 | 162.3 |
[M]- | 284.10858 | 162.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.