CID 9639453

2-(2-(4-chlorobenzylidene)hydrazino)-n-(4-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O₂

SMILES

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

InChI

InChI=1S/C16H14ClN3O2/c1-11-2-8-14(9-3-11)19-15(21)16(22)20-18-10-12-4-6-13(17)7-5-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+

InChIKey

IQRVGHWLSKKNFF-VCHYOVAHSA-N

Compound name

N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.07745 Da
Monoisotopic Mass: 3.4
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]+	316.084726	173.0
[M+Na]+	338.066668	179.7
[M-H]-	314.070174	181.0
[M+NH4]+	333.111273	188.0
[M+K]+	354.040608	174.8
[M+H-H2O]+	298.074710	165.1
[M+HCOO]-	360.075651	195.8
[M+CH3COO]-	374.091301	212.3
[M+Na-2H]-	336.052116	177.1
[M]+	315.07690142	174.9
[M]-	315.07799858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.