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[5,4-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]+ 333.059476 168.8
[M+Na]+ 355.041418 176.6
[M-H]- 331.044924 167.1
[M+NH4]+ 350.086023 177.7
[M+K]+ 371.015358 175.4
[M+H-H2O]+ 315.049460 159.4
[M+HCOO]- 377.050401 186.5
[M+CH3COO]- 391.066051 196.6
[M+Na-2H]- 353.026866 169.2
[M]+ 332.05165142 170.4
[M]- 332.05274858 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.