CID 168354693

Allopurinol-1-ribotide

Structural Information

Molecular Formula
C10H13N4O8P
SMILES
C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-10(7(6)16)14-8-4(1-13-14)9(17)12-3-11-8/h1,3,5-7,10,15-16H,2H2,(H,11,12,17)(H2,18,19,20)
InChIKey
IKIHZGWYXKBGLC-UHFFFAOYSA-N
Compound name
[3,4-dihydroxy-5-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0471 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05438 172.3
[M+Na]+ 371.03632 179.3
[M+NH4]+ 366.08092 173.0
[M+K]+ 387.01026 185.0
[M-H]- 347.03982 168.3
[M+Na-2H]- 369.02177 170.6
[M]+ 348.04655 171.2
[M]- 348.04765 171.2
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.