CID 511192

[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl diethyl phosphate

Structural Information

Molecular Formula
C13H19N2O7P
SMILES
CCOP(=O)(OCC)OC[C@@H]1C=C[C@@H](O1)N2C=CC(=O)NC2=O
InChI
InChI=1S/C13H19N2O7P/c1-3-19-23(18,20-4-2)21-9-10-5-6-12(22-10)15-8-7-11(16)14-13(15)17/h5-8,10,12H,3-4,9H2,1-2H3,(H,14,16,17)/t10-,12+/m0/s1
InChIKey
WJCOBSGNMWMSDX-CMPLNLGQSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.093 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10028 173.8
[M+Na]+ 369.08222 180.9
[M-H]- 345.08572 176.3
[M+NH4]+ 364.12682 184.3
[M+K]+ 385.05616 180.8
[M+H-H2O]+ 329.09026 163.3
[M+HCOO]- 391.09120 197.9
[M+CH3COO]- 405.10685 205.8
[M+Na-2H]- 367.06767 175.1
[M]+ 346.09245 180.8
[M]- 346.09355 180.8
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.