CID 1887239
763114-85-8
Structural Information
- Molecular Formula
- C24H19ClN2O3S
- SMILES
- CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C24H19ClN2O3S/c1-2-30-19-13-7-16(8-14-19)22(28)15-31-24-26-21-6-4-3-5-20(21)23(29)27(24)18-11-9-17(25)10-12-18/h3-14H,2,15H2,1H3
- InChIKey
- RGVPOZSDSOBUCY-UHFFFAOYSA-N
- Compound name
- 3-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 451.08778 | 204.4 |
[M+Na]+ | 473.06972 | 214.2 |
[M-H]- | 449.07322 | 212.4 |
[M+NH4]+ | 468.11432 | 212.7 |
[M+K]+ | 489.04366 | 206.0 |
[M+H-H2O]+ | 433.07776 | 193.8 |
[M+HCOO]- | 495.07870 | 214.0 |
[M+CH3COO]- | 509.09435 | 213.2 |
[M+Na-2H]- | 471.05517 | 205.6 |
[M]+ | 450.07995 | 212.3 |
[M]- | 450.08105 | 212.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.