CID 135483744

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

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1CCC(C1)OC2=NC(=CC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2/c19-15-11-13(10-12-6-2-1-3-7-12)17-16(18-15)20-14-8-4-5-9-14/h1-3,6-7,11,14H,4-5,8-10H2,(H,17,18,19)
InChIKey
HNMZNMXIXGZRDV-UHFFFAOYSA-N
Compound name
4-benzyl-2-cyclopentyloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 161.6
[M+Na]+ 293.12606 168.0
[M-H]- 269.12956 167.0
[M+NH4]+ 288.17066 175.7
[M+K]+ 309.10000 162.8
[M+H-H2O]+ 253.13410 152.0
[M+HCOO]- 315.13504 181.0
[M+CH3COO]- 329.15069 172.4
[M+Na-2H]- 291.11151 164.3
[M]+ 270.13629 158.7
[M]- 270.13739 158.7
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.