CID 4092497
302913-27-5
Structural Information
- Molecular Formula
- C15H9Br3N2O
- SMILES
- C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3Br)Br)Br
- InChI
- InChI=1S/C15H9Br3N2O/c16-10-3-1-9(2-4-10)7-20-8-19-14-12(15(20)21)5-11(17)6-13(14)18/h1-6,8H,7H2
- InChIKey
- KDNVRKDCVHYWKL-UHFFFAOYSA-N
- Compound name
- 6,8-dibromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.83378 | 151.2 |
[M+Na]+ | 492.81572 | 159.3 |
[M-H]- | 468.81922 | 157.7 |
[M+NH4]+ | 487.86032 | 162.9 |
[M+K]+ | 508.78966 | 145.2 |
[M+H-H2O]+ | 452.82376 | 166.3 |
[M+HCOO]- | 514.82470 | 160.2 |
[M+CH3COO]- | 528.84035 | 161.8 |
[M+Na-2H]- | 490.80117 | 157.2 |
[M]+ | 469.82595 | 193.3 |
[M]- | 469.82705 | 193.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.