CID 371493

Nsc645776

Structural Information

Molecular Formula
C11H19N2O5P
SMILES
CCOP(=O)(CCN1C=C(C(=O)NC1=O)C)OCC
InChI
InChI=1S/C11H19N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h8H,4-7H2,1-3H3,(H,12,14,15)
InChIKey
JMTVVCOMYJVTOR-UHFFFAOYSA-N
Compound name
1-(2-diethoxyphosphorylethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11043 164.2
[M+Na]+ 313.09237 172.9
[M-H]- 289.09587 163.1
[M+NH4]+ 308.13697 177.4
[M+K]+ 329.06631 170.9
[M+H-H2O]+ 273.10041 154.6
[M+HCOO]- 335.10135 188.9
[M+CH3COO]- 349.11700 199.0
[M+Na-2H]- 311.07782 166.1
[M]+ 290.10260 170.8
[M]- 290.10370 170.8
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.