CID 474409

Oxidase, urate

Structural Information

Molecular Formula
C18H23N4O14P
SMILES
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O
InChI
InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)
InChIKey
KXSPLNAXPMVUEC-UHFFFAOYSA-N
Compound name
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1821
References

6
Patents

550.09485 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.10213 212.3
[M+Na]+ 573.08407 216.1
[M+NH4]+ 568.12867 213.3
[M+K]+ 589.05801 217.9
[M-H]- 549.08757 206.8
[M+Na-2H]- 571.06952 218.3
[M]+ 550.09430 211.1
[M]- 550.09540 211.1
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.