CID 135483751

6-benzyl-5-methyl-2-butoxypyrimidin-4-one

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCCCOC1=NC(=C(C(=O)N1)C)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O2/c1-3-4-10-20-16-17-14(12(2)15(19)18-16)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H,17,18,19)
InChIKey
WNVWOPZHKABXBL-UHFFFAOYSA-N
Compound name
4-benzyl-2-butoxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.3
[M+Na]+ 295.14169 172.6
[M-H]- 271.14519 167.0
[M+NH4]+ 290.18629 177.5
[M+K]+ 311.11563 167.4
[M+H-H2O]+ 255.14973 155.2
[M+HCOO]- 317.15067 184.4
[M+CH3COO]- 331.16632 197.6
[M+Na-2H]- 293.12714 168.7
[M]+ 272.15192 166.5
[M]- 272.15302 166.5
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.