CID 76055

Brn 0818696

Structural Information

Molecular Formula

C₁₄H₂₀N₄O₂

SMILES

CCN(CC)CCN1C=NC2=C1N=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H20N4O2/c1-4-17(5-2)6-7-18-10-16-12-8-11(14(19)20-3)9-15-13(12)18/h8-10H,4-7H2,1-3H3

InChIKey

MTRVCBHDVRYUTK-UHFFFAOYSA-N

Compound name

methyl 3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.15863 Da
Monoisotopic Mass: 1.3
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]+	277.165906	164.8
[M+Na]+	299.147848	173.4
[M-H]-	275.151354	167.1
[M+NH4]+	294.192453	180.5
[M+K]+	315.121788	171.3
[M+H-H2O]+	259.155890	155.6
[M+HCOO]-	321.156831	187.0
[M+CH3COO]-	335.172481	205.5
[M+Na-2H]-	297.133296	169.1
[M]+	276.15808142	171.8
[M]-	276.15917858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.