CID 4607541

302913-35-5

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O/c1-10-2-4-11(5-3-10)8-20-9-19-15-13(16(20)21)6-12(17)7-14(15)18/h2-7,9H,8H2,1H3
InChIKey
XJWXFYXEKOOLMF-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03265 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.039926 168.5
[M+Na]+ 341.021868 181.4
[M-H]- 317.025374 173.1
[M+NH4]+ 336.066473 183.1
[M+K]+ 356.995808 173.4
[M+H-H2O]+ 301.029910 160.0
[M+HCOO]- 363.030851 179.6
[M+CH3COO]- 377.046501 180.2
[M+Na-2H]- 339.007316 173.4
[M]+ 318.03210142 173.8
[M]- 318.03319858 173.8
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.