CID 135483738

6-benzyl-2-methoxypyrimidin-4-one

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC1=NC(=CC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKey
XIEWHXKGCLBFSI-UHFFFAOYSA-N
Compound name
4-benzyl-2-methoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.1
[M+Na]+ 239.07909 155.3
[M-H]- 215.08259 149.2
[M+NH4]+ 234.12369 161.3
[M+K]+ 255.05303 150.9
[M+H-H2O]+ 199.08713 137.6
[M+HCOO]- 261.08807 167.6
[M+CH3COO]- 275.10372 184.4
[M+Na-2H]- 237.06454 153.4
[M]+ 216.08932 146.5
[M]- 216.09042 146.5
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.