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

2
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 145.7
[M+Na]+ 294.92442 152.9
[M+NH4]+ 289.96902 151.1
[M+K]+ 310.89836 151.3
[M-H]- 270.92792 146.5
[M+Na-2H]- 292.90987 150.1
[M]+ 271.93465 146.2
[M]- 271.93575 146.2
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