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

0
Patents

214.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.3
[M+Na]+ 237.09983 157.6
[M-H]- 213.10333 151.5
[M+NH4]+ 232.14443 163.1
[M+K]+ 253.07377 153.4
[M+H-H2O]+ 197.10787 138.1
[M+HCOO]- 259.10881 168.8
[M+CH3COO]- 273.12446 190.2
[M+Na-2H]- 235.08528 152.2
[M]+ 214.11006 148.4
[M]- 214.11116 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