CID 169490832

[18f]fpygal

Structural Information

Molecular Formula
C11H14FNO6
SMILES
C1=CC(=C(N=C1)[18F])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C11H14FNO6/c12-10-5(2-1-3-13-10)18-11-9(17)8(16)7(15)6(4-14)19-11/h1-3,6-9,11,14-17H,4H2/t6-,7+,8+,9-,11-/m1/s1/i12-1
InChIKey
WVMXHPFODYIJHA-UYSIFGSESA-N
Compound name
(2S,3R,4S,5R,6R)-2-(2-(18F)fluoranylpyridin-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08304 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09032 158.1
[M+Na]+ 297.07226 165.3
[M-H]- 273.07576 158.0
[M+NH4]+ 292.11686 169.1
[M+K]+ 313.04620 163.3
[M+H-H2O]+ 257.08030 150.1
[M+HCOO]- 319.08124 170.9
[M+CH3COO]- 333.09689 189.1
[M+Na-2H]- 295.05771 159.8
[M]+ 274.08249 155.3
[M]- 274.08359 155.3
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.