CID 135499515

2-isobutyloxy-5-methyl-6-(3,5-dimethylbenzyl)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=N2)OCC(C)C)C)C
InChI
InChI=1S/C18H24N2O2/c1-11(2)10-22-18-19-16(14(5)17(21)20-18)9-15-7-12(3)6-13(4)8-15/h6-8,11H,9-10H2,1-5H3,(H,19,20,21)
InChIKey
VMUSHOKNLRFNJS-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-methyl-2-(2-methylpropoxy)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.8
[M+Na]+ 323.17300 181.8
[M-H]- 299.17650 176.1
[M+NH4]+ 318.21760 185.4
[M+K]+ 339.14694 176.8
[M+H-H2O]+ 283.18104 164.0
[M+HCOO]- 345.18198 191.2
[M+CH3COO]- 359.19763 206.9
[M+Na-2H]- 321.15845 173.5
[M]+ 300.18323 176.0
[M]- 300.18433 176.0
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.