CID 63511
72875-72-0
Structural Information
- Molecular Formula
- C23H16BrN3OS
- SMILES
- CC(C1=NC2=CC=CC=C2S1)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C5=CC=CC=C5
- InChI
- InChI=1S/C23H16BrN3OS/c1-14(22-26-19-9-5-6-10-20(19)29-22)27-21(15-7-3-2-4-8-15)25-18-12-11-16(24)13-17(18)23(27)28/h2-14H,1H3
- InChIKey
- KUBIDRLTWPZPFZ-UHFFFAOYSA-N
- Compound name
- 3-[1-(1,3-benzothiazol-2-yl)ethyl]-6-bromo-2-phenylquinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 462.02702 | 194.4 |
[M+Na]+ | 484.00896 | 209.0 |
[M-H]- | 460.01246 | 205.7 |
[M+NH4]+ | 479.05356 | 207.7 |
[M+K]+ | 499.98290 | 195.2 |
[M+H-H2O]+ | 444.01700 | 192.7 |
[M+HCOO]- | 506.01794 | 207.6 |
[M+CH3COO]- | 520.03359 | 206.7 |
[M+Na-2H]- | 481.99441 | 198.4 |
[M]+ | 461.01919 | 217.7 |
[M]- | 461.02029 | 217.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.