CID 5272112

115365-13-4

Structural Information

Molecular Formula
C13H19N2O9P
SMILES
CCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O
InChI
InChI=1S/C13H19N2O9P/c1-3-22-13(19)25(20,21-2)23-7-9-8(16)6-11(24-9)15-5-4-10(17)14-12(15)18/h4-5,8-9,11,16H,3,6-7H2,1-2H3,(H,14,17,18)/t8-,9+,11+,25?/m0/s1
InChIKey
ARFOILFYFMIVQZ-MSJVMCAESA-N
Compound name
ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.08282 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09010 177.0
[M+Na]+ 401.07204 182.9
[M-H]- 377.07554 178.3
[M+NH4]+ 396.11664 185.3
[M+K]+ 417.04598 183.7
[M+H-H2O]+ 361.08008 167.2
[M+HCOO]- 423.08102 197.6
[M+CH3COO]- 437.09667 209.6
[M+Na-2H]- 399.05749 176.3
[M]+ 378.08227 182.6
[M]- 378.08337 182.6
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.