CID 63521
Brn 1049672
Structural Information
- Molecular Formula
- C18H10Br2ClN3O2S
- SMILES
- C1=CC=C(C(=C1)OCC2=NC3=CC(=C(C=C3C(=O)N2C4=NC=CS4)Br)Br)Cl
- InChI
- InChI=1S/C18H10Br2ClN3O2S/c19-11-7-10-14(8-12(11)20)23-16(9-26-15-4-2-1-3-13(15)21)24(17(10)25)18-22-5-6-27-18/h1-8H,9H2
- InChIKey
- DRTPKUFXZKEPFC-UHFFFAOYSA-N
- Compound name
- 6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 525.86218 | 169.2 |
[M+Na]+ | 547.84412 | 184.5 |
[M-H]- | 523.84762 | 180.2 |
[M+NH4]+ | 542.88872 | 182.5 |
[M+K]+ | 563.81806 | 168.3 |
[M+H-H2O]+ | 507.85216 | 177.9 |
[M+HCOO]- | 569.85310 | 177.9 |
[M+CH3COO]- | 583.86875 | 182.7 |
[M+Na-2H]- | 545.82957 | 174.5 |
[M]+ | 524.85435 | 210.4 |
[M]- | 524.85545 | 210.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.