CID 5375700

5,6-dichloro-1h,2h,3h-imidazo[4,5-b]pyridin-2-one

Structural Information

Molecular Formula

C₆H₃Cl₂N₃O

SMILES

C1=C2C(=NC(=C1Cl)Cl)NC(=O)N2

InChI

InChI=1S/C6H3Cl2N3O/c7-2-1-3-5(10-4(2)8)11-6(12)9-3/h1H,(H2,9,10,11,12)

InChIKey

ITKBBOLEUZVKAE-UHFFFAOYSA-N

Compound name

5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.96532 Da
Monoisotopic Mass: 1.4
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]+	203.972596	134.1
[M+Na]+	225.954538	148.2
[M-H]-	201.958044	132.5
[M+NH4]+	220.999143	152.5
[M+K]+	241.928478	141.1
[M+H-H2O]+	185.962580	128.4
[M+HCOO]-	247.963521	145.1
[M+CH3COO]-	261.979171	147.2
[M+Na-2H]-	223.939986	140.7
[M]+	202.96477142	136.1
[M]-	202.96586858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.