CID 482632

352025-81-1

Structural Information

Molecular Formula
C14H14N4O5
SMILES
C1=COC(=C1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C14H14N4O5/c19-4-8-11(20)12(21)14(23-8)18-6-17-10-9(7-2-1-3-22-7)15-5-16-13(10)18/h1-3,5-6,8,11-12,14,19-21H,4H2/t8-,11-,12-,14-/m1/s1
InChIKey
OZOLTYAOBSJCJL-LHNIVKCTSA-N
Compound name
(2R,3R,4S,5R)-2-[6-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

318.0964 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10368 166.5
[M+Na]+ 341.08562 176.6
[M-H]- 317.08912 172.0
[M+NH4]+ 336.13022 177.3
[M+K]+ 357.05956 174.8
[M+H-H2O]+ 301.09366 159.7
[M+HCOO]- 363.09460 182.1
[M+CH3COO]- 377.11025 177.6
[M+Na-2H]- 339.07107 165.9
[M]+ 318.09585 170.0
[M]- 318.09695 170.0
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

No patent data available for this compound.