CID 464395

Aag125

Structural Information

Molecular Formula
C16H21ClN4O3
SMILES
C1CCC(C1)NC2=CC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)Cl
InChI
InChI=1S/C16H21ClN4O3/c17-13-5-10(19-9-3-1-2-4-9)15-16(20-13)21(8-18-15)14-6-11(23)12(7-22)24-14/h5,8-9,11-12,14,22-23H,1-4,6-7H2,(H,19,20)/t11-,12+,14+/m0/s1
InChIKey
QHUNSJYFZSECMJ-OUCADQQQSA-N
Compound name
(2R,3S,5R)-5-[5-chloro-7-(cyclopentylamino)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

352.13022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13750 180.0
[M+Na]+ 375.11944 187.8
[M-H]- 351.12294 185.9
[M+NH4]+ 370.16404 193.3
[M+K]+ 391.09338 183.2
[M+H-H2O]+ 335.12748 172.4
[M+HCOO]- 397.12842 191.9
[M+CH3COO]- 411.14407 189.7
[M+Na-2H]- 373.10489 177.0
[M]+ 352.12967 180.6
[M]- 352.13077 180.6
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.