CID 135427227

Chembl515143

Structural Information

Molecular Formula
C10H9FN4O3
SMILES
C1=C([C@@H](O[C@@H]1N2C=NC3=C2N=CNC3=O)CO)F
InChI
InChI=1S/C10H9FN4O3/c11-5-1-7(18-6(5)2-16)15-4-14-8-9(15)12-3-13-10(8)17/h1,3-4,6-7,16H,2H2,(H,12,13,17)/t6-,7-/m0/s1
InChIKey
PGUVAFVRRFGJHY-BQBZGAKWSA-N
Compound name
9-[(2S,5S)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.06587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07315 150.3
[M+Na]+ 275.05509 162.7
[M-H]- 251.05859 151.3
[M+NH4]+ 270.09969 164.4
[M+K]+ 291.02903 158.8
[M+H-H2O]+ 235.06313 141.7
[M+HCOO]- 297.06407 167.8
[M+CH3COO]- 311.07972 162.5
[M+Na-2H]- 273.04054 153.6
[M]+ 252.06532 151.6
[M]- 252.06642 151.6
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

No patent data available for this compound.