CID 5470773

Nsc704893

Structural Information

Molecular Formula
C10H16N3O4P
SMILES
CCOP(=O)(/C=C/N1C=CC(=NC1=O)N)OCC
InChI
InChI=1S/C10H16N3O4P/c1-3-16-18(15,17-4-2)8-7-13-6-5-9(11)12-10(13)14/h5-8H,3-4H2,1-2H3,(H2,11,12,14)/b8-7+
InChIKey
YOLNCEADVZJJAP-BQYQJAHWSA-N
Compound name
4-amino-1-[(E)-2-diethoxyphosphorylethenyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08783 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09511 161.0
[M+Na]+ 296.07705 169.1
[M-H]- 272.08055 160.6
[M+NH4]+ 291.12165 174.8
[M+K]+ 312.05099 167.1
[M+H-H2O]+ 256.08509 150.9
[M+HCOO]- 318.08603 187.8
[M+CH3COO]- 332.10168 198.8
[M+Na-2H]- 294.06250 163.7
[M]+ 273.08728 165.4
[M]- 273.08838 165.4
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.