CID 6475434

1-[(z)-2-diethoxyphosphorylvinyl]-5-(hydroxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H17N2O6P
SMILES
CCOP(=O)(/C=C\N1C=C(C(=O)NC1=O)CO)OCC
InChI
InChI=1S/C11H17N2O6P/c1-3-18-20(17,19-4-2)6-5-13-7-9(8-14)10(15)12-11(13)16/h5-7,14H,3-4,8H2,1-2H3,(H,12,15,16)/b6-5-
InChIKey
VGYAWRHEKFFPGY-WAYWQWQTSA-N
Compound name
1-[(Z)-2-diethoxyphosphorylethenyl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08243 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08971 166.1
[M+Na]+ 327.07165 174.5
[M-H]- 303.07515 163.6
[M+NH4]+ 322.11625 177.8
[M+K]+ 343.04559 171.7
[M+H-H2O]+ 287.07969 156.6
[M+HCOO]- 349.08063 189.6
[M+CH3COO]- 363.09628 197.4
[M+Na-2H]- 325.05710 167.8
[M]+ 304.08188 171.4
[M]- 304.08298 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.