CID 464389

Chembl3143089

Structural Information

Molecular Formula
C12H15ClN4O3
SMILES
CNC1=CC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O)Cl
InChI
InChI=1S/C12H15ClN4O3/c1-14-6-2-9(13)16-12-11(6)15-5-17(12)10-3-7(19)8(4-18)20-10/h2,5,7-8,10,18-19H,3-4H2,1H3,(H,14,16)/t7-,8+,10+/m0/s1
InChIKey
CUPADHCCXDGGIQ-QXFUBDJGSA-N
Compound name
(2R,3S,5R)-5-[5-chloro-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09056 165.6
[M+Na]+ 321.07250 176.3
[M-H]- 297.07600 168.7
[M+NH4]+ 316.11710 179.9
[M+K]+ 337.04644 171.9
[M+H-H2O]+ 281.08054 158.4
[M+HCOO]- 343.08148 179.5
[M+CH3COO]- 357.09713 176.9
[M+Na-2H]- 319.05795 167.2
[M]+ 298.08273 169.0
[M]- 298.08383 169.0
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

No patent data available for this compound.