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]+	221.04762	144.2
[M+Na]+	243.02956	161.9
[M+NH4]+	238.07416	153.1
[M+K]+	259.00350	153.4
[M-H]-	219.03306	148.1
[M+Na-2H]-	241.01501	154.6
[M]+	220.03979	148.3
[M]-	220.04089	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.