CID 135442581
6-(bromomethyl)-2-methyl-4(1h)-quinazolinone
Structural Information
- Molecular Formula
- C10H9BrN2O
- SMILES
- CC1=NC2=C(C=C(C=C2)CBr)C(=O)N1
- InChI
- InChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4H,5H2,1H3,(H,12,13,14)
- InChIKey
- YAHALGNQKDVJLJ-UHFFFAOYSA-N
- Compound name
- 6-(bromomethyl)-2-methyl-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.99710 | 143.7 |
[M+Na]+ | 274.97904 | 157.5 |
[M-H]- | 250.98254 | 147.7 |
[M+NH4]+ | 270.02364 | 162.9 |
[M+K]+ | 290.95298 | 144.9 |
[M+H-H2O]+ | 234.98708 | 143.3 |
[M+HCOO]- | 296.98802 | 161.9 |
[M+CH3COO]- | 311.00367 | 158.4 |
[M+Na-2H]- | 272.96449 | 153.0 |
[M]+ | 251.98927 | 162.6 |
[M]- | 251.99037 | 162.6 |