CID 493218

Ficar

Structural Information

Molecular Formula
C9H12FN3O5
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F)C(=O)N
InChI
InChI=1S/C9H12FN3O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
InChIKey
CYUGBUIPPNXCBV-UUOKFMHZSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoroimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

261.0761 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08338 153.4
[M+Na]+ 284.06532 161.4
[M-H]- 260.06882 153.7
[M+NH4]+ 279.10992 167.3
[M+K]+ 300.03926 159.7
[M+H-H2O]+ 244.07336 146.3
[M+HCOO]- 306.07430 169.4
[M+CH3COO]- 320.08995 190.5
[M+Na-2H]- 282.05077 151.2
[M]+ 261.07555 150.5
[M]- 261.07665 150.5
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