CID 4216977

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

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CN1C=NC2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C9H7BrN2O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,1H3
InChIKey
MCSVSXROESVYLR-UHFFFAOYSA-N
Compound name
6-bromo-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

237.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 138.1
[M+Na]+ 260.963398 152.7
[M-H]- 236.966904 143.6
[M+NH4]+ 256.008003 158.5
[M+K]+ 276.937338 141.3
[M+H-H2O]+ 220.971440 137.7
[M+HCOO]- 282.972381 158.0
[M+CH3COO]- 296.988031 153.9
[M+Na-2H]- 258.948846 148.4
[M]+ 237.97363142 158.3
[M]- 237.97472858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe