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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 143.3
[M+Na]+ 243.02956 155.1
[M-H]- 219.03306 148.0
[M+NH4]+ 238.07416 160.2
[M+K]+ 259.00350 149.7
[M+H-H2O]+ 203.03760 135.6
[M+HCOO]- 265.03854 161.7
[M+CH3COO]- 279.05419 156.9
[M+Na-2H]- 241.01501 150.4
[M]+ 220.03979 146.2
[M]- 220.04089 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.