CID 135499500

2-methoxy-5-methyl-6-(3,5-dimethylbenzyl)pyimidin-4(3h)-one

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=N2)OC)C)C
InChI
InChI=1S/C15H18N2O2/c1-9-5-10(2)7-12(6-9)8-13-11(3)14(18)17-15(16-13)19-4/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKey
AGIDUZKXYKSENH-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-2-methoxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.6
[M+Na]+ 281.12606 170.2
[M-H]- 257.12956 163.4
[M+NH4]+ 276.17066 174.0
[M+K]+ 297.10000 165.4
[M+H-H2O]+ 241.13410 151.2
[M+HCOO]- 303.13504 180.0
[M+CH3COO]- 317.15069 197.1
[M+Na-2H]- 279.11151 163.0
[M]+ 258.13629 162.3
[M]- 258.13739 162.3
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

No patent data available for this compound.