CID 63539

Brn 0889467

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C)C
InChI
InChI=1S/C17H15ClN2O/c1-10-6-11(2)8-14(7-10)20-12(3)19-16-9-13(18)4-5-15(16)17(20)21/h4-9H,1-3H3
InChIKey
SGOMEBCYUDQCQT-UHFFFAOYSA-N
Compound name
7-chloro-3-(3,5-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 167.8
[M+Na]+ 321.07650 187.4
[M+NH4]+ 316.12110 177.1
[M+K]+ 337.05044 177.4
[M-H]- 297.08000 173.1
[M+Na-2H]- 319.06195 177.4
[M]+ 298.08673 172.8
[M]- 298.08783 172.8
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.