CID 9689781

N-(3,4-dichlorophenyl)-2-(2-(4-methylbenzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula

C₁₆H₁₃Cl₂N₃O₂

SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O2/c1-10-2-4-11(5-3-10)9-19-21-16(23)15(22)20-12-6-7-13(17)14(18)8-12/h2-9H,1H3,(H,20,22)(H,21,23)/b19-9+

InChIKey

FQFOHCCERCWFHO-DJKKODMXSA-N

Compound name

N-(3,4-dichlorophenyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.03848 Da
Monoisotopic Mass: 4.1
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]+	350.045756	180.1
[M+Na]+	372.027698	188.0
[M-H]-	348.031204	187.6
[M+NH4]+	367.072303	194.5
[M+K]+	388.001638	181.9
[M+H-H2O]+	332.035740	173.3
[M+HCOO]-	394.036681	197.7
[M+CH3COO]-	408.052331	217.6
[M+Na-2H]-	370.013146	182.6
[M]+	349.03793142	183.8
[M]-	349.03902858	183.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.