CID 592572

4(3h)-pyrimidinone, 3-(4-chlorophenyl)-2-methyl-

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CC1=NC=CC(=O)N1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN2O/c1-8-13-7-6-11(15)14(8)10-4-2-9(12)3-5-10/h2-7H,1H3

InChIKey

USTLDFWGUZXACG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.04034 Da
Monoisotopic Mass: 1.6
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]+	221.047616	143.3
[M+Na]+	243.029558	155.1
[M-H]-	219.033064	148.0
[M+NH4]+	238.074163	160.2
[M+K]+	259.003498	149.7
[M+H-H2O]+	203.037600	135.6
[M+HCOO]-	265.038541	161.7
[M+CH3COO]-	279.054191	156.9
[M+Na-2H]-	241.015006	150.4
[M]+	220.03979142	146.2
[M]-	220.04088858	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.