CID 63791

54681-83-3

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂N₂O

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C15H10Cl2N2O/c1-9-18-13-5-3-2-4-11(13)15(20)19(9)14-8-10(16)6-7-12(14)17/h2-8H,1H3

InChIKey

XCDGNQCQHRLLAF-UHFFFAOYSA-N

Compound name

3-(2,5-dichlorophenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 304.01703 Da
Monoisotopic Mass: 3.4
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]+	305.024306	163.8
[M+Na]+	327.006248	177.2
[M-H]-	303.009754	168.7
[M+NH4]+	322.050853	179.0
[M+K]+	342.980188	169.4
[M+H-H2O]+	287.014290	155.7
[M+HCOO]-	349.015231	175.3
[M+CH3COO]-	363.030881	176.0
[M+Na-2H]-	324.991696	169.4
[M]+	304.01648142	168.9
[M]-	304.01757858	168.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.