CID 63386

3476-88-8

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)C
InChI
InChI=1S/C16H12Cl2N2O/c1-9-8-11(17)6-7-14(9)20-10(2)19-13-5-3-4-12(18)15(13)16(20)21/h3-8H,1-2H3
InChIKey
KUIHLOHNUGOCTO-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.03265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03993 168.6
[M+Na]+ 341.02187 182.4
[M-H]- 317.02537 173.6
[M+NH4]+ 336.06647 183.5
[M+K]+ 356.99581 174.5
[M+H-H2O]+ 301.02991 160.4
[M+HCOO]- 363.03085 179.6
[M+CH3COO]- 377.04650 180.6
[M+Na-2H]- 339.00732 172.8
[M]+ 318.03210 174.3
[M]- 318.03320 174.3
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