CID 135483741

6-benzyl-2-butoxypyrimidin-4-one

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCCCOC1=NC(=CC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O2/c1-2-3-9-19-15-16-13(11-14(18)17-15)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,16,17,18)
InChIKey
ZQKSXLKFXYYXRV-UHFFFAOYSA-N
Compound name
4-benzyl-2-butoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.7
[M+Na]+ 281.126058 167.5
[M-H]- 257.129564 162.2
[M+NH4]+ 276.170663 173.1
[M+K]+ 297.099998 162.4
[M+H-H2O]+ 241.134100 150.5
[M+HCOO]- 303.135041 180.1
[M+CH3COO]- 317.150691 193.4
[M+Na-2H]- 279.111506 165.4
[M]+ 258.13629142 161.1
[M]- 258.13738858 161.1
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.