CID 136961884

Chembl3544849

Structural Information

Molecular Formula
C10H13N4O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C=N2)C(=O)NC=N3)COP(=O)(O)O)O
InChI
InChI=1S/C10H13N4O7P/c15-6-1-8(21-7(6)3-20-22(17,18)19)14-9-5(2-13-14)10(16)12-4-11-9/h2,4,6-8,15H,1,3H2,(H,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey
JTIUSLHLSWQMFO-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-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

332.0522 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05948 168.8
[M+Na]+ 355.04142 176.6
[M-H]- 331.04492 167.1
[M+NH4]+ 350.08602 177.7
[M+K]+ 371.01536 175.4
[M+H-H2O]+ 315.04946 159.4
[M+HCOO]- 377.05040 186.5
[M+CH3COO]- 391.06605 196.6
[M+Na-2H]- 353.02687 169.2
[M]+ 332.05165 170.4
[M]- 332.05275 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.