CID 135483754

6-benzyl-5-methyl-2-(cyclopentyloxy)pyrimidin-4-one

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC1=C(N=C(NC1=O)OC2CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O2/c1-12-15(11-13-7-3-2-4-8-13)18-17(19-16(12)20)21-14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,18,19,20)
InChIKey
HUHQEAPAHCHPOI-UHFFFAOYSA-N
Compound name
4-benzyl-2-cyclopentyloxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.4
[M+Na]+ 307.14169 173.3
[M-H]- 283.14519 172.0
[M+NH4]+ 302.18629 180.2
[M+K]+ 323.11563 167.9
[M+H-H2O]+ 267.14973 156.9
[M+HCOO]- 329.15067 185.4
[M+CH3COO]- 343.16632 177.0
[M+Na-2H]- 305.12714 167.8
[M]+ 284.15192 164.2
[M]- 284.15302 164.2
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.