CID 24839164

Brn 5073466

Structural Information

Molecular Formula

C₁₄H₁₂ClN₃O

SMILES

CCN1C2=C(N=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12ClN3O/c1-2-17-11-8-9-12(15)16-13(11)18(14(17)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3

InChIKey

GDOTXPIXFZRXHI-UHFFFAOYSA-N

Compound name

5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.0669 Da
Monoisotopic Mass: 3.1
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]+	274.074176	159.5
[M+Na]+	296.056118	173.1
[M-H]-	272.059624	164.2
[M+NH4]+	291.100723	176.0
[M+K]+	312.030058	166.2
[M+H-H2O]+	256.064160	150.6
[M+HCOO]-	318.065101	177.4
[M+CH3COO]-	332.080751	172.6
[M+Na-2H]-	294.041566	165.0
[M]+	273.06635142	165.3
[M]-	273.06744858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.