CID 9570939

Benzoic acid, p-(p-chlorobenzamido)-, 2-(p-methylbenzylidene)hydrazide

Structural Information

Molecular Formula

C₂₂H₁₈ClN₃O₂

SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O2/c1-15-2-4-16(5-3-15)14-24-26-22(28)18-8-12-20(13-9-18)25-21(27)17-6-10-19(23)11-7-17/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+

InChIKey

KQCCEMDYOQWESW-ZVHZXABRSA-N

Compound name

4-[(4-chlorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.10876 Da
Monoisotopic Mass: 4.7
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]+	392.116036	194.4
[M+Na]+	414.097978	200.4
[M-H]-	390.101484	205.0
[M+NH4]+	409.142583	205.7
[M+K]+	430.071918	194.0
[M+H-H2O]+	374.106020	184.6
[M+HCOO]-	436.106961	216.2
[M+CH3COO]-	450.122611	228.0
[M+Na-2H]-	412.083426	197.2
[M]+	391.10821142	196.4
[M]-	391.10930858	196.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.