CID 63714

Chi 14

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C16H13ClN2O2/c1-10-18-13-6-4-3-5-12(13)16(20)19(10)14-9-11(17)7-8-15(14)21-2/h3-9H,1-2H3
InChIKey
UTOJRMMCZZQJPB-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.1
[M+Na]+ 323.05578 185.1
[M+NH4]+ 318.10038 174.9
[M+K]+ 339.02972 175.6
[M-H]- 299.05928 170.8
[M+Na-2H]- 321.04123 175.7
[M]+ 300.06601 170.7
[M]- 300.06711 170.7
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

No patent data available for this compound.