CID 464391

Chembl3142517

Structural Information

Molecular Formula
C14H17ClN4O3
SMILES
C1CC1NC2=CC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)Cl
InChI
InChI=1S/C14H17ClN4O3/c15-11-3-8(17-7-1-2-7)13-14(18-11)19(6-16-13)12-4-9(21)10(5-20)22-12/h3,6-7,9-10,12,20-21H,1-2,4-5H2,(H,17,18)/t9-,10+,12+/m0/s1
InChIKey
AUJHFUGPDUUDRO-HOSYDEDBSA-N
Compound name
(2R,3S,5R)-5-[5-chloro-7-(cyclopropylamino)imidazo[4,5-b]pyridin-3-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.0989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10618 172.0
[M+Na]+ 347.08812 183.4
[M-H]- 323.09162 178.1
[M+NH4]+ 342.13272 180.4
[M+K]+ 363.06206 176.6
[M+H-H2O]+ 307.09616 164.9
[M+HCOO]- 369.09710 185.4
[M+CH3COO]- 383.11275 182.3
[M+Na-2H]- 345.07357 172.7
[M]+ 324.09835 177.1
[M]- 324.09945 177.1
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.