CID 464393

Chembl3143084

Structural Information

Molecular Formula
C15H19ClN4O3
SMILES
C1CC(C1)NC2=CC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)Cl
InChI
InChI=1S/C15H19ClN4O3/c16-12-4-9(18-8-2-1-3-8)14-15(19-12)20(7-17-14)13-5-10(22)11(6-21)23-13/h4,7-8,10-11,13,21-22H,1-3,5-6H2,(H,18,19)/t10-,11+,13+/m0/s1
InChIKey
WYNNHNYVRFWDHN-DMDPSCGWSA-N
Compound name
(2R,3S,5R)-5-[5-chloro-7-(cyclobutylamino)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

338.11456 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12184 168.9
[M+Na]+ 361.10378 175.9
[M-H]- 337.10728 174.0
[M+NH4]+ 356.14838 174.8
[M+K]+ 377.07772 174.3
[M+H-H2O]+ 321.11182 155.9
[M+HCOO]- 383.11276 180.1
[M+CH3COO]- 397.12841 178.4
[M+Na-2H]- 359.08923 168.8
[M]+ 338.11401 178.9
[M]- 338.11511 178.9
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.