CID 5274236

1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)C#CC2=CN(C(=O)NC2=O)COCCO
InChI
InChI=1S/C15H14N2O4/c18-8-9-21-11-17-10-13(14(19)16-15(17)20)7-6-12-4-2-1-3-5-12/h1-5,10,18H,8-9,11H2,(H,16,19,20)
InChIKey
DATRUVNYHRABRW-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 165.0
[M+Na]+ 309.084588 175.3
[M-H]- 285.088094 164.1
[M+NH4]+ 304.129193 174.7
[M+K]+ 325.058528 168.6
[M+H-H2O]+ 269.092630 149.9
[M+HCOO]- 331.093571 178.6
[M+CH3COO]- 345.109221 199.8
[M+Na-2H]- 307.070036 167.8
[M]+ 286.09482142 160.1
[M]- 286.09591858 160.1
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.