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
1
Annotation Hits

14
References

96
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 159.0
[M+Na]+ 289.09072 170.3
[M+NH4]+ 284.13532 163.9
[M+K]+ 305.06466 171.3
[M-H]- 265.09422 159.2
[M+Na-2H]- 287.07617 160.9
[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

literature stripe

Patent stripe

patents stripe