CID 156890

77303-19-6

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

COC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC=N3)OC

InChI

InChI=1S/C14H13N3O2/c1-18-9-5-6-10(12(8-9)19-2)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)

InChIKey

XQRDAEMFUZSXOO-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 22
Patents: 255.10077 Da
Monoisotopic Mass: 2.6
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]+	256.10805	156.3
[M+Na]+	278.08999	167.4
[M-H]-	254.09349	159.8
[M+NH4]+	273.13459	171.6
[M+K]+	294.06393	162.4
[M+H-H2O]+	238.09803	147.3
[M+HCOO]-	300.09897	177.5
[M+CH3COO]-	314.11462	168.7
[M+Na-2H]-	276.07544	162.9
[M]+	255.10022	160.0
[M]-	255.10132	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe