CID 63809
68142-70-1
Structural Information
- Molecular Formula
- C17H12N4OS
- SMILES
- CC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
- InChI
- InChI=1S/C17H12N4OS/c1-11-19-20-17(23-11)21-15(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16(21)22/h2-10H,1H3
- InChIKey
- PGLZQSKRVACWSR-UHFFFAOYSA-N
- Compound name
- 3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.08046 | 173.3 |
[M+Na]+ | 343.06240 | 187.2 |
[M-H]- | 319.06590 | 180.6 |
[M+NH4]+ | 338.10700 | 186.0 |
[M+K]+ | 359.03634 | 179.3 |
[M+H-H2O]+ | 303.07044 | 163.6 |
[M+HCOO]- | 365.07138 | 190.2 |
[M+CH3COO]- | 379.08703 | 185.3 |
[M+Na-2H]- | 341.04785 | 177.1 |
[M]+ | 320.07263 | 178.3 |
[M]- | 320.07373 | 178.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.