CID 464373

Chembl2113392

Structural Information

Molecular Formula
C11H13ClN4O4
SMILES
C1=C(C2=C(N=C1Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C11H13ClN4O4/c12-6-1-4(13)7-10(15-6)16(3-14-7)11-9(19)8(18)5(2-17)20-11/h1,3,5,8-9,11,17-19H,2H2,(H2,13,15)/t5-,8-,9-,11-/m1/s1
InChIKey
NSHIDLDNURVTES-MGUDNFKCSA-N
Compound name
(2R,3R,4S,5R)-2-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.06253 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06981 164.5
[M+Na]+ 323.05175 175.8
[M-H]- 299.05525 166.5
[M+NH4]+ 318.09635 178.0
[M+K]+ 339.02569 171.2
[M+H-H2O]+ 283.05979 158.2
[M+HCOO]- 345.06073 176.8
[M+CH3COO]- 359.07638 175.5
[M+Na-2H]- 321.03720 164.8
[M]+ 300.06198 166.7
[M]- 300.06308 166.7
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.