CID 3080486
Methanone, (5-chloro-2-((2-((4,5-dihydro-1h-imidazol-2-yl)thio)ethyl)amino)phenyl)phenyl-
Structural Information
- Molecular Formula
- C18H18ClN3OS
- SMILES
- C1CN=C(N1)SCCNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C18H18ClN3OS/c19-14-6-7-16(20-10-11-24-18-21-8-9-22-18)15(12-14)17(23)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,21,22)
- InChIKey
- CDEXPVJGPNJCGH-UHFFFAOYSA-N
- Compound name
- [5-chloro-2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethylamino]phenyl]-phenylmethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 360.09318 | 181.7 |
[M+Na]+ | 382.07512 | 188.6 |
[M-H]- | 358.07862 | 187.4 |
[M+NH4]+ | 377.11972 | 193.7 |
[M+K]+ | 398.04906 | 180.6 |
[M+H-H2O]+ | 342.08316 | 173.1 |
[M+HCOO]- | 404.08410 | 192.4 |
[M+CH3COO]- | 418.09975 | 190.9 |
[M+Na-2H]- | 380.06057 | 181.1 |
[M]+ | 359.08535 | 182.9 |
[M]- | 359.08645 | 182.9 |
Literature stripe
No literature data available for this compound.