CID 464396

Aag129

Structural Information

Molecular Formula
C16H22N4O3
SMILES
C1CCC(C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C16H22N4O3/c21-8-13-12(22)7-14(23-13)20-9-18-15-11(5-6-17-16(15)20)19-10-3-1-2-4-10/h5-6,9-10,12-14,21-22H,1-4,7-8H2,(H,17,19)/t12-,13+,14+/m0/s1
InChIKey
UWZXMAXGONMFMT-BFHYXJOUSA-N
Compound name
(2R,3S,5R)-5-[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

318.1692 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17648 169.8
[M+Na]+ 341.15842 176.1
[M-H]- 317.16192 175.7
[M+NH4]+ 336.20302 183.4
[M+K]+ 357.13236 173.0
[M+H-H2O]+ 301.16646 162.0
[M+HCOO]- 363.16740 186.6
[M+CH3COO]- 377.18305 179.8
[M+Na-2H]- 339.14387 168.3
[M]+ 318.16865 168.1
[M]- 318.16975 168.1
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.