CID 3033608
74389-71-2
Structural Information
- Molecular Formula
- C10H12N2S
- SMILES
- CC1CC(=S)NC2=CC=CC=C2N1
- InChI
- InChI=1S/C10H12N2S/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)
- InChIKey
- IZJYTDCZXXJUGJ-UHFFFAOYSA-N
- Compound name
- 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.07939 | 139.3 |
[M+Na]+ | 215.06133 | 145.4 |
[M-H]- | 191.06483 | 139.6 |
[M+NH4]+ | 210.10593 | 155.5 |
[M+K]+ | 231.03527 | 144.3 |
[M+H-H2O]+ | 175.06937 | 133.2 |
[M+HCOO]- | 237.07031 | 149.8 |
[M+CH3COO]- | 251.08596 | 149.7 |
[M+Na-2H]- | 213.04678 | 142.2 |
[M]+ | 192.07156 | 132.2 |
[M]- | 192.07266 | 132.2 |
Literature stripe
No literature data available for this compound.