CID 85530875

6-bromo-2-chloro-3-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H6BrClN2O
SMILES
CN1C(=O)C2=C(C=CC(=C2)Br)N=C1Cl
InChI
InChI=1S/C9H6BrClN2O/c1-13-8(14)6-4-5(10)2-3-7(6)12-9(13)11/h2-4H,1H3
InChIKey
RQXHWZPREUAPKS-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.9352 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94248 142.2
[M+Na]+ 294.92442 158.6
[M-H]- 270.92792 147.8
[M+NH4]+ 289.96902 162.5
[M+K]+ 310.89836 145.5
[M+H-H2O]+ 254.93246 142.5
[M+HCOO]- 316.93340 157.7
[M+CH3COO]- 330.94905 158.1
[M+Na-2H]- 292.90987 151.6
[M]+ 271.93465 164.6
[M]- 271.93575 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe