CID 135483756

6-benzyl-5-ethyl-2-methoxypyrimidin-4-one

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1=C(N=C(NC1=O)OC)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2/c1-3-11-12(9-10-7-5-4-6-8-10)15-14(18-2)16-13(11)17/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKey
TURGXAGWAKAXRA-UHFFFAOYSA-N
Compound name
4-benzyl-5-ethyl-2-methoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.3
[M+Na]+ 267.11041 164.5
[M-H]- 243.11391 158.4
[M+NH4]+ 262.15501 169.6
[M+K]+ 283.08435 159.7
[M+H-H2O]+ 227.11845 146.6
[M+HCOO]- 289.11939 176.0
[M+CH3COO]- 303.13504 191.6
[M+Na-2H]- 265.09586 160.7
[M]+ 244.12064 156.8
[M]- 244.12174 156.8
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.