CID 97131

14675-48-0

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8-,9-,11-/m1/s1
InChIKey
FIGBCBGMUIGJBD-PNHWDRBUSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

70
Patents

266.1015 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 158.3
[M+Na]+ 289.09072 169.1
[M-H]- 265.09422 159.2
[M+NH4]+ 284.13532 171.3
[M+K]+ 305.06466 166.0
[M+H-H2O]+ 249.09876 150.9
[M+HCOO]- 311.09970 173.5
[M+CH3COO]- 325.11535 169.5
[M+Na-2H]- 287.07617 159.6
[M]+ 266.10095 160.3
[M]- 266.10205 160.3
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.