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]+ 299.094556 167.9
[M+Na]+ 321.076498 181.1
[M-H]- 297.080004 173.8
[M+NH4]+ 316.121103 183.2
[M+K]+ 337.050438 173.8
[M+H-H2O]+ 281.084540 159.2
[M+HCOO]- 343.085481 183.8
[M+CH3COO]- 357.101131 180.4
[M+Na-2H]- 319.061946 172.4
[M]+ 298.08673142 172.8
[M]- 298.08782858 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.