CID 135499516

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

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=N2)OC3CCCC3)C)C
InChI
InChI=1S/C19H24N2O2/c1-12-8-13(2)10-15(9-12)11-17-14(3)18(22)21-19(20-17)23-16-6-4-5-7-16/h8-10,16H,4-7,11H2,1-3H3,(H,20,21,22)
InChIKey
QUKYAJQCAYEIMP-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-4-[(3,5-dimethylphenyl)methyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 175.6
[M+Na]+ 335.17300 183.5
[M-H]- 311.17650 181.7
[M+NH4]+ 330.21760 188.9
[M+K]+ 351.14694 177.7
[M+H-H2O]+ 295.18104 166.3
[M+HCOO]- 357.18198 193.9
[M+CH3COO]- 371.19763 205.4
[M+Na-2H]- 333.15845 174.5
[M]+ 312.18323 175.0
[M]- 312.18433 175.0
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.