CID 5470769

Nsc704889

Structural Information

Molecular Formula
C10H15N2O5P
SMILES
CCOP(=O)(/C=C/N1C=CC(=O)NC1=O)OCC
InChI
InChI=1S/C10H15N2O5P/c1-3-16-18(15,17-4-2)8-7-12-6-5-9(13)11-10(12)14/h5-8H,3-4H2,1-2H3,(H,11,13,14)/b8-7+
InChIKey
RRXIPCLAHYKRSU-BQYQJAHWSA-N
Compound name
1-[(E)-2-diethoxyphosphorylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07187 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07915 158.7
[M+Na]+ 297.06109 167.3
[M-H]- 273.06459 157.4
[M+NH4]+ 292.10569 172.2
[M+K]+ 313.03503 164.8
[M+H-H2O]+ 257.06913 149.1
[M+HCOO]- 319.07007 183.9
[M+CH3COO]- 333.08572 193.2
[M+Na-2H]- 295.04654 161.7
[M]+ 274.07132 163.7
[M]- 274.07242 163.7
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.