CID 63538

4(3h)-quinazolinone, 7-chloro-3-(3-chlorophenyl)-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10Cl2N2O/c1-9-18-14-8-11(17)5-6-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKey
FAKKGOUPHOEUFM-UHFFFAOYSA-N
Compound name
7-chloro-3-(3-chlorophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01703 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 163.8
[M+Na]+ 327.00625 177.2
[M-H]- 303.00975 168.7
[M+NH4]+ 322.05085 179.0
[M+K]+ 342.98019 169.4
[M+H-H2O]+ 287.01429 155.7
[M+HCOO]- 349.01523 175.3
[M+CH3COO]- 363.03088 176.0
[M+Na-2H]- 324.99170 169.4
[M]+ 304.01648 168.9
[M]- 304.01758 168.9
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.