CID 135875707

5-chloro-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
CC1=NC2=C(C(=CC=C2)Cl)C(=O)N1
InChI
InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKey
GKDIFKSYPXLUJS-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

194.02469 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe