CID 63111

340-94-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.063276	158.4
[M+Na]+	293.045218	170.7
[M-H]-	269.048724	163.8
[M+NH4]+	288.089823	174.3
[M+K]+	309.019158	163.7
[M+H-H2O]+	253.053260	149.7
[M+HCOO]-	315.054201	175.1
[M+CH3COO]-	329.069851	171.1
[M+Na-2H]-	291.030666	165.5
[M]+	270.05545142	161.8
[M]-	270.05654858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe