CID 486167

Pdcpisodu

Structural Information

Molecular Formula
C18H25N5O14P2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@@H](CO3)N4C=CC(=O)NC4=O)O
InChI
InChI=1S/C18H25N5O14P2/c19-13-1-3-23(17(26)20-13)15-5-10(11(36-15)7-34-38(28,29)30)37-39(31,32)35-8-12-16(25)9(6-33-12)22-4-2-14(24)21-18(22)27/h1-4,9-12,15-16,25H,5-8H2,(H,31,32)(H2,19,20,26)(H,21,24,27)(H2,28,29,30)/t9-,10+,11-,12-,15-,16+/m1/s1
InChIKey
WGIAJLAXTLAWOI-LWHUEDLUSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

597.08734 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.09462 215.8
[M+Na]+ 620.07656 219.2
[M-H]- 596.08006 210.3
[M+NH4]+ 615.12116 215.3
[M+K]+ 636.05050 216.5
[M+H-H2O]+ 580.08460 201.7
[M+HCOO]- 642.08554 217.6
[M+CH3COO]- 656.10119 250.0
[M+Na-2H]- 618.06201 213.8
[M]+ 597.08679 211.0
[M]- 597.08789 211.0
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.