CID 1888734
763114-30-3
Structural Information
- Molecular Formula
- C22H17ClN2O2S
- SMILES
- COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4Cl
- InChI
- InChI=1S/C22H17ClN2O2S/c1-27-17-12-10-16(11-13-17)25-21(26)18-7-3-5-9-20(18)24-22(25)28-14-15-6-2-4-8-19(15)23/h2-13H,14H2,1H3
- InChIKey
- KOISFNTZWQBUPM-UHFFFAOYSA-N
- Compound name
- 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 409.07720 | 194.2 |
[M+Na]+ | 431.05914 | 205.4 |
[M-H]- | 407.06264 | 202.4 |
[M+NH4]+ | 426.10374 | 204.6 |
[M+K]+ | 447.03308 | 196.8 |
[M+H-H2O]+ | 391.06718 | 183.9 |
[M+HCOO]- | 453.06812 | 205.1 |
[M+CH3COO]- | 467.08377 | 204.2 |
[M+Na-2H]- | 429.04459 | 197.0 |
[M]+ | 408.06937 | 201.3 |
[M]- | 408.07047 | 201.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.