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 147.4
[M+Na]+ 237.09983 164.3
[M+NH4]+ 232.14443 155.8
[M+K]+ 253.07377 156.4
[M-H]- 213.10333 151.4
[M+Na-2H]- 235.08528 157.1
[M]+ 214.11006 151.1
[M]- 214.11116 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.