CID 6479521

4-(4-amino-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentanecarboxylic acid amide

Structural Information

Molecular Formula
C12H15N5O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O)C(=O)N
InChI
InChI=1S/C12H15N5O3/c13-11-8-6(1-2-15-11)17(4-16-8)7-3-5(12(14)20)9(18)10(7)19/h1-2,4-5,7,9-10,18-19H,3H2,(H2,13,15)(H2,14,20)/t5-,7+,9+,10-/m0/s1
InChIKey
RHLCZGAAPDLDIE-MMBFECLISA-N
Compound name
(1S,2R,3S,4R)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1175 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.124776 159.9
[M+Na]+ 300.106718 168.9
[M-H]- 276.110224 162.2
[M+NH4]+ 295.151323 174.6
[M+K]+ 316.080658 164.7
[M+H-H2O]+ 260.114760 152.5
[M+HCOO]- 322.115701 178.6
[M+CH3COO]- 336.131351 170.7
[M+Na-2H]- 298.092166 159.8
[M]+ 277.11695142 157.1
[M]- 277.11804858 157.1
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.