CID 102216

7-beta-d-ribofuranosyl-7h-purine

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1=C2C(=NC=N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
InChIKey
TXDJXYCWUSYGSN-FDDDBJFASA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-7-yloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.08586 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.093136 152.8
[M+Na]+ 275.075078 163.1
[M-H]- 251.078584 153.5
[M+NH4]+ 270.119683 166.0
[M+K]+ 291.049018 160.3
[M+H-H2O]+ 235.083120 145.2
[M+HCOO]- 297.084061 168.4
[M+CH3COO]- 311.099711 164.1
[M+Na-2H]- 273.060526 155.4
[M]+ 252.08531142 154.0
[M]- 252.08640858 154.0
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