CID 6475451

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

Structural Information

Molecular Formula
C10H14IN2O5P
SMILES
CCOP(=O)(/C=C\N1C=C(C(=O)NC1=O)I)OCC
InChI
InChI=1S/C10H14IN2O5P/c1-3-17-19(16,18-4-2)6-5-13-7-8(11)9(14)12-10(13)15/h5-7H,3-4H2,1-2H3,(H,12,14,15)/b6-5-
InChIKey
GMKNQCCWJATCDA-WAYWQWQTSA-N
Compound name
1-[(Z)-2-diethoxyphosphorylethenyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.9685 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.97578 173.7
[M+Na]+ 422.95772 175.6
[M-H]- 398.96122 165.9
[M+NH4]+ 418.00232 182.0
[M+K]+ 438.93166 178.8
[M+H-H2O]+ 382.96576 160.6
[M+HCOO]- 444.96670 193.2
[M+CH3COO]- 458.98235 204.9
[M+Na-2H]- 420.94317 163.6
[M]+ 399.96795 176.2
[M]- 399.96905 176.2
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.