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[5,4-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]+ 253.093136 152.6
[M+Na]+ 275.075078 163.3
[M-H]- 251.078584 153.4
[M+NH4]+ 270.119683 165.8
[M+K]+ 291.049018 159.8
[M+H-H2O]+ 235.083120 145.1
[M+HCOO]- 297.084061 168.4
[M+CH3COO]- 311.099711 164.0
[M+Na-2H]- 273.060526 155.2
[M]+ 252.08531142 153.2
[M]- 252.08640858 153.2
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