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]+ 287.10265 165.0
[M+Na]+ 309.08459 175.3
[M-H]- 285.08809 164.1
[M+NH4]+ 304.12919 174.7
[M+K]+ 325.05853 168.6
[M+H-H2O]+ 269.09263 149.9
[M+HCOO]- 331.09357 178.6
[M+CH3COO]- 345.10922 199.8
[M+Na-2H]- 307.07004 167.8
[M]+ 286.09482 160.1
[M]- 286.09592 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.