CID 200789

4(3h)-pyrimidinone, 2,6-dimethyl-3-(2-methylphenyl)-

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=CC=CC=C1N2C(=NC(=CC2=O)C)C
InChI
InChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)15-11(3)14-10(2)8-13(15)16/h4-8H,1-3H3
InChIKey
QTIABAXHYMHAGN-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-(2-methylphenyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.3
[M+Na]+ 237.099828 157.6
[M-H]- 213.103334 151.5
[M+NH4]+ 232.144433 163.1
[M+K]+ 253.073768 153.4
[M+H-H2O]+ 197.107870 138.1
[M+HCOO]- 259.108811 168.8
[M+CH3COO]- 273.124461 190.2
[M+Na-2H]- 235.085276 152.2
[M]+ 214.11006142 148.4
[M]- 214.11115858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe