CID 490622

Schembl6309347

Structural Information

Molecular Formula
C12H15FN4O4
SMILES
CNC1=C2C(=CC(=N1)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H15FN4O4/c1-14-11-8-5(2-7(13)16-11)17(4-15-8)12-10(20)9(19)6(3-18)21-12/h2,4,6,9-10,12,18-20H,3H2,1H3,(H,14,16)/t6-,9-,10-,12-/m1/s1
InChIKey
DIEBCUDZXRWPSV-XYHAGOFUSA-N
Compound name
(2R,3R,4S,5R)-2-[6-fluoro-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

298.10773 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11501 163.9
[M+Na]+ 321.09695 174.1
[M-H]- 297.10045 165.0
[M+NH4]+ 316.14155 176.8
[M+K]+ 337.07089 170.6
[M+H-H2O]+ 281.10499 156.1
[M+HCOO]- 343.10593 180.1
[M+CH3COO]- 357.12158 199.0
[M+Na-2H]- 319.08240 164.7
[M]+ 298.10718 164.5
[M]- 298.10828 164.5
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.