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]+ 273.159746 164.0
[M+Na]+ 295.141688 173.0
[M-H]- 271.145194 167.3
[M+NH4]+ 290.186293 177.4
[M+K]+ 311.115628 168.3
[M+H-H2O]+ 255.149730 155.3
[M+HCOO]- 317.150671 183.1
[M+CH3COO]- 331.166321 199.7
[M+Na-2H]- 293.127136 166.5
[M]+ 272.15192142 166.0
[M]- 272.15301858 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.