CID 63111

3-(3-chlorophenyl)-2-methylquinazolin-4-one

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c1-10-17-14-8-3-2-7-13(14)15(19)18(10)12-6-4-5-11(16)9-12/h2-9H,1H3
InChIKey
FRZCXJROWSIXPR-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.2
[M+Na]+ 293.04522 177.5
[M+NH4]+ 288.08982 167.8
[M+K]+ 309.01916 167.6
[M-H]- 269.04872 163.4
[M+Na-2H]- 291.03067 168.8
[M]+ 270.05545 163.1
[M]- 270.05655 163.1
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

patents stripe