CID 5271297

565450-78-4

Structural Information

Molecular Formula
C12H16N4O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3OC)CO)O)O
InChI
InChI=1S/C12H16N4O5/c1-12(19)8(18)6(3-17)21-11(12)16-5-15-7-9(16)13-4-14-10(7)20-2/h4-6,8,11,17-19H,3H2,1-2H3/t6-,8-,11-,12-/m1/s1
InChIKey
HFOYSXHOPVYGPB-YUTYNTIBSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.11206 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11934 163.1
[M+Na]+ 319.10128 174.2
[M-H]- 295.10478 164.3
[M+NH4]+ 314.14588 176.8
[M+K]+ 335.07522 171.9
[M+H-H2O]+ 279.10932 156.2
[M+HCOO]- 341.11026 178.3
[M+CH3COO]- 355.12591 174.3
[M+Na-2H]- 317.08673 165.7
[M]+ 296.11151 167.3
[M]- 296.11261 167.3
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.