CID 135618060

Chembl3544648

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C=N2)C(=O)NC=N3)CO)O
InChI
InChI=1S/C10H12N4O4/c15-3-7-6(16)1-8(18-7)14-9-5(2-13-14)10(17)12-4-11-9/h2,4,6-8,15-16H,1,3H2,(H,11,12,17)/t6-,7+,8+/m0/s1
InChIKey
YLSXVPUJRKOYEK-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.08586 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.8
[M+Na]+ 275.07508 165.0
[M+NH4]+ 270.11968 158.6
[M+K]+ 291.04902 165.9
[M-H]- 251.07858 153.7
[M+Na-2H]- 273.06053 156.1
[M]+ 252.08531 154.9
[M]- 252.08641 154.9
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

patents stripe