CID 118753617

Chembl3544866

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C=NN3)C(=O)NC2=O)CO)O
InChI
InChI=1S/C10H12N4O5/c15-3-6-5(16)1-7(19-6)14-8-4(2-11-13-8)9(17)12-10(14)18/h2,5-7,15-16H,1,3H2,(H,11,13)(H,12,17,18)/t5-,6+,7+/m0/s1
InChIKey
MOFOCQGMDMRUPN-RRKCRQDMSA-N
Compound name
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08078 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 157.5
[M+Na]+ 291.07000 168.0
[M+NH4]+ 286.11460 161.1
[M+K]+ 307.04394 169.9
[M-H]- 267.07350 156.3
[M+Na-2H]- 289.05545 158.4
[M]+ 268.08023 158.1
[M]- 268.08133 158.1
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.