CID 136922474

860193-28-8

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
CC1=CC(=CC2=C1N=CNC2=O)Cl
InChI
InChI=1S/C9H7ClN2O/c1-5-2-6(10)3-7-8(5)11-4-12-9(7)13/h2-4H,1H3,(H,11,12,13)
InChIKey
NQEXBJHCIVDMPU-UHFFFAOYSA-N
Compound name
6-chloro-8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.02469 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 135.8
[M+Na]+ 217.01391 148.1
[M-H]- 193.01741 137.0
[M+NH4]+ 212.05851 154.5
[M+K]+ 232.98785 142.4
[M+H-H2O]+ 177.02195 129.7
[M+HCOO]- 239.02289 151.8
[M+CH3COO]- 253.03854 149.4
[M+Na-2H]- 214.99936 144.2
[M]+ 194.02414 137.5
[M]- 194.02524 137.5
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