CID 63657
Brn 5653535
Structural Information
- Molecular Formula
- C24H19N3O4S
- SMILES
- COC1=C(C=CC(=C1)C2N(C(=O)CS2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5)O
- InChI
- InChI=1S/C24H19N3O4S/c1-31-20-13-16(11-12-19(20)28)24-26(21(29)14-32-24)27-22(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)23(27)30/h2-13,24,28H,14H2,1H3
- InChIKey
- FROUUAROSLYYGP-UHFFFAOYSA-N
- Compound name
- 2-(4-hydroxy-3-methoxyphenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 446.11690 | 206.3 |
[M+Na]+ | 468.09884 | 216.1 |
[M-H]- | 444.10234 | 215.7 |
[M+NH4]+ | 463.14344 | 213.6 |
[M+K]+ | 484.07278 | 208.6 |
[M+H-H2O]+ | 428.10688 | 195.6 |
[M+HCOO]- | 490.10782 | 218.2 |
[M+CH3COO]- | 504.12347 | 214.8 |
[M+Na-2H]- | 466.08429 | 204.5 |
[M]+ | 445.10907 | 209.1 |
[M]- | 445.11017 | 209.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.