CID 135483745

6-benzyl-2-(cyclohexyloxy)pyrimidin-4-one

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1CCC(CC1)OC2=NC(=CC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O2/c20-16-12-14(11-13-7-3-1-4-8-13)18-17(19-16)21-15-9-5-2-6-10-15/h1,3-4,7-8,12,15H,2,5-6,9-11H2,(H,18,19,20)
InChIKey
XBPRAGJGERFLTO-UHFFFAOYSA-N
Compound name
4-benzyl-2-cyclohexyloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.9
[M+Na]+ 307.14169 171.8
[M-H]- 283.14519 171.4
[M+NH4]+ 302.18629 178.2
[M+K]+ 323.11563 166.3
[M+H-H2O]+ 267.14973 156.3
[M+HCOO]- 329.15067 183.5
[M+CH3COO]- 343.16632 176.2
[M+Na-2H]- 305.12714 170.8
[M]+ 284.15192 161.9
[M]- 284.15302 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.