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 158.4
[M+Na]+ 293.04522 170.7
[M-H]- 269.04872 163.8
[M+NH4]+ 288.08982 174.3
[M+K]+ 309.01916 163.7
[M+H-H2O]+ 253.05326 149.7
[M+HCOO]- 315.05420 175.1
[M+CH3COO]- 329.06985 171.1
[M+Na-2H]- 291.03067 165.5
[M]+ 270.05545 161.8
[M]- 270.05655 161.8
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

patents stripe