CID 135499513

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

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=CC(=CC(=C1)CC2=CC(=O)NC(=N2)OC3CCCC3)C
InChI
InChI=1S/C18H22N2O2/c1-12-7-13(2)9-14(8-12)10-15-11-17(21)20-18(19-15)22-16-5-3-4-6-16/h7-9,11,16H,3-6,10H2,1-2H3,(H,19,20,21)
InChIKey
IQVYLJHHNORFBY-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.1
[M+Na]+ 321.15734 178.4
[M-H]- 297.16084 176.9
[M+NH4]+ 316.20194 184.6
[M+K]+ 337.13128 172.8
[M+H-H2O]+ 281.16538 161.6
[M+HCOO]- 343.16632 189.7
[M+CH3COO]- 357.18197 201.2
[M+Na-2H]- 319.14279 171.2
[M]+ 298.16757 169.7
[M]- 298.16867 169.7
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.