CID 2771690
904813-50-9
Structural Information
- Molecular Formula
- C13H14N2S
- SMILES
- C1CNC2=CC=CC=C2NC1C3=CC=CS3
- InChI
- InChI=1S/C13H14N2S/c1-2-5-11-10(4-1)14-8-7-12(15-11)13-6-3-9-16-13/h1-6,9,12,14-15H,7-8H2
- InChIKey
- LEFCCRGYHRDPRB-UHFFFAOYSA-N
- Compound name
- 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.09505 | 151.7 |
[M+Na]+ | 253.07699 | 157.4 |
[M-H]- | 229.08049 | 155.0 |
[M+NH4]+ | 248.12159 | 167.7 |
[M+K]+ | 269.05093 | 155.1 |
[M+H-H2O]+ | 213.08503 | 144.8 |
[M+HCOO]- | 275.08597 | 163.5 |
[M+CH3COO]- | 289.10162 | 161.7 |
[M+Na-2H]- | 251.06244 | 153.3 |
[M]+ | 230.08722 | 144.6 |
[M]- | 230.08832 | 144.6 |
Literature stripe
No literature data available for this compound.