CID 135521337

Nsc638342

Structural Information

Molecular Formula
C10H11FN4O5
SMILES
C1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)N=C(NC2=O)F
InChI
InChI=1S/C10H11FN4O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,13,14,19)/t3-,5-,6-,9-/m0/s1
InChIKey
RHLSRGWIGPHHJW-GIMIYPNGSA-N
Compound name
9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07135 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07863 159.2
[M+Na]+ 309.06057 170.8
[M-H]- 285.06407 158.1
[M+NH4]+ 304.10517 170.7
[M+K]+ 325.03451 166.8
[M+H-H2O]+ 269.06861 151.5
[M+HCOO]- 331.06955 172.5
[M+CH3COO]- 345.08520 169.7
[M+Na-2H]- 307.04602 159.5
[M]+ 286.07080 159.2
[M]- 286.07190 159.2
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.