CID 135499510

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

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=CC(=CC(=C1)CC2=CC(=O)NC(=N2)OC(C)C)C
InChI
InChI=1S/C16H20N2O2/c1-10(2)20-16-17-14(9-15(19)18-16)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3,(H,17,18,19)
InChIKey
NLKZCVHZRBLCDG-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-2-propan-2-yloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.0
[M+Na]+ 295.14169 173.0
[M-H]- 271.14519 167.3
[M+NH4]+ 290.18629 177.4
[M+K]+ 311.11563 168.3
[M+H-H2O]+ 255.14973 155.3
[M+HCOO]- 317.15067 183.1
[M+CH3COO]- 331.16632 199.7
[M+Na-2H]- 293.12714 166.5
[M]+ 272.15192 166.0
[M]- 272.15302 166.0
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.