CID 6481604

3h-imidazo[4,5-c]pyridin-4-amine, 6-chloro-7-fluoro-3-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C11H12ClFN4O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=NC(=C2F)Cl)N
InChI
InChI=1S/C11H12ClFN4O4/c12-9-4(13)5-6(10(14)16-9)17(2-15-5)11-8(20)7(19)3(1-18)21-11/h2-3,7-8,11,18-20H,1H2,(H2,14,16)/t3-,7-,8-,11-/m1/s1
InChIKey
OLWUPQPYFZLKNT-ZUHFKWOFSA-N
Compound name
(2R,3R,4S,5R)-2-(4-amino-6-chloro-7-fluoroimidazo[4,5-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0531 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06038 167.2
[M+Na]+ 341.04232 179.4
[M-H]- 317.04582 168.2
[M+NH4]+ 336.08692 180.2
[M+K]+ 357.01626 174.4
[M+H-H2O]+ 301.05036 160.3
[M+HCOO]- 363.05130 178.4
[M+CH3COO]- 377.06695 178.0
[M+Na-2H]- 339.02777 166.3
[M]+ 318.05255 168.9
[M]- 318.05365 168.9
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.