CID 5470771

Chembl1979998

Structural Information

Molecular Formula
C11H17N2O5P
SMILES
CCOP(=O)(/C=C/N1C=C(C(=O)NC1=O)C)OCC
InChI
InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h6-8H,4-5H2,1-3H3,(H,12,14,15)/b7-6+
InChIKey
UXLGYEMCEQNJGM-VOTSOKGWSA-N
Compound name
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0875 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09478 162.8
[M+Na]+ 311.07672 171.9
[M-H]- 287.08022 161.8
[M+NH4]+ 306.12132 176.1
[M+K]+ 327.05066 169.3
[M+H-H2O]+ 271.08476 153.3
[M+HCOO]- 333.08570 187.7
[M+CH3COO]- 347.10135 197.5
[M+Na-2H]- 309.06217 164.7
[M]+ 288.08695 168.6
[M]- 288.08805 168.6
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.