CID 465408

Chembl151506

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=CN=CN=C32)CO)CO
InChI
InChI=1S/C11H14N4O3/c16-3-7-1-10(18-9(7)4-17)15-6-14-8-2-12-5-13-11(8)15/h2,5-7,9-10,16-17H,1,3-4H2/t7-,9-,10-/m1/s1
InChIKey
OBNPKYDJUIZLMY-SZEHBUNVSA-N
Compound name
[(2S,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.1066 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 153.5
[M+Na]+ 273.09582 163.2
[M-H]- 249.09932 154.9
[M+NH4]+ 268.14042 167.4
[M+K]+ 289.06976 160.5
[M+H-H2O]+ 233.10386 145.3
[M+HCOO]- 295.10480 170.2
[M+CH3COO]- 309.12045 165.0
[M+Na-2H]- 271.08127 156.6
[M]+ 250.10605 155.0
[M]- 250.10715 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.