CID 13625463

Ethyl 2-{3h-imidazo[4,5-b]pyridin-2-yl}acetate

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CCOC(=O)CC1=NC2=C(N1)C=CC=N2

InChI

InChI=1S/C10H11N3O2/c1-2-15-9(14)6-8-12-7-4-3-5-11-10(7)13-8/h3-5H,2,6H2,1H3,(H,11,12,13)

InChIKey

MBJLVQKGFDSQGA-UHFFFAOYSA-N

Compound name

ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 205.08513 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.092406	143.3
[M+Na]+	228.074348	153.1
[M-H]-	204.077854	143.0
[M+NH4]+	223.118953	160.5
[M+K]+	244.048288	149.8
[M+H-H2O]+	188.082390	135.4
[M+HCOO]-	250.083331	163.8
[M+CH3COO]-	264.098981	181.6
[M+Na-2H]-	226.059796	150.0
[M]+	205.08458142	146.0
[M]-	205.08567858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe