CID 2826728

Fluoroazomycin arabinoside f-18

Structural Information

Molecular Formula
C8H10FN3O5
SMILES
C1=CN(C(=N1)[N+](=O)[O-])[C@@H]2[C@H]([C@@H]([C@H](O2)C[18F])O)O
InChI
InChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2/t4-,5-,6+,7+/m1/s1/i9-1
InChIKey
LPZSRGRDVVGMMX-FJBGPTLJSA-N
Compound name
(2S,3S,4S,5S)-2-((18F)fluoranylmethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

88
References

309
Patents

246.06299 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07027 147.4
[M+Na]+ 269.05221 154.9
[M-H]- 245.05571 149.4
[M+NH4]+ 264.09681 162.1
[M+K]+ 285.02615 149.7
[M+H-H2O]+ 229.06025 144.8
[M+HCOO]- 291.06119 166.5
[M+CH3COO]- 305.07684 180.2
[M+Na-2H]- 267.03766 151.0
[M]+ 246.06244 144.2
[M]- 246.06354 144.2
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