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 191.4
[M+Na]+ 534.98904 195.8
[M-H]- 510.99254 189.0
[M+NH4]+ 530.03364 191.5
[M+K]+ 550.96298 189.5
[M+H-H2O]+ 494.99708 178.6
[M+HCOO]- 556.99802 194.5
[M+CH3COO]- 571.01367 227.3
[M+Na-2H]- 532.97449 193.9
[M]+ 511.99927 178.7
[M]- 512.00037 178.7
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.