CID 196463

69150-51-2

Structural Information

Molecular Formula
C11H19N2O15P3
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C11H19N2O15P3/c1-2-5-3-13(11(17)12-9(5)16)10-8(15)7(14)6(26-10)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8,10,14-15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7-,8+,10-/m1/s1
InChIKey
OUVPELULKJELEV-BDNRQGISSA-N
Compound name
[[(2R,3S,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

511.99982 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.00710 193.1
[M+Na]+ 534.98904 196.4
[M+NH4]+ 530.03364 193.2
[M+K]+ 550.96298 196.8
[M-H]- 510.99254 186.3
[M+Na-2H]- 532.97449 195.7
[M]+ 511.99927 190.8
[M]- 512.00037 190.8
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.