CID 135496297

9-(2,3-dideoxy-2,2-difluoro-.beta.-l-glyceropentofuranosyl)hypoxanthine

Structural Information

Molecular Formula
C10H10F2N4O3
SMILES
C1[C@@H](O[C@@H](C1(F)F)N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C10H10F2N4O3/c11-10(12)1-5(2-17)19-9(10)16-4-15-6-7(16)13-3-14-8(6)18/h3-5,9,17H,1-2H2,(H,13,14,18)/t5-,9+/m1/s1
InChIKey
IJESJMJFZYQMFE-ANLVUFKYSA-N
Compound name
9-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.07208 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07936 152.6
[M+Na]+ 295.06130 165.1
[M-H]- 271.06480 152.3
[M+NH4]+ 290.10590 167.8
[M+K]+ 311.03524 161.1
[M+H-H2O]+ 255.06934 143.6
[M+HCOO]- 317.07028 167.8
[M+CH3COO]- 331.08593 164.2
[M+Na-2H]- 293.04675 155.8
[M]+ 272.07153 152.0
[M]- 272.07263 152.0
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.