CID 9635041

2-(3-chlorophenoxy)-n'-(4-((4-methylbenzyl)oxy)benzylidene)acetohydrazide

Structural Information

Molecular Formula

C₂₃H₂₁ClN₂O₃

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H21ClN2O3/c1-17-5-7-19(8-6-17)15-28-21-11-9-18(10-12-21)14-25-26-23(27)16-29-22-4-2-3-20(24)13-22/h2-14H,15-16H2,1H3,(H,26,27)/b25-14+

InChIKey

JLUOSJICNCRKEO-AFUMVMLFSA-N

Compound name

2-(3-chlorophenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.12408 Da
Monoisotopic Mass: 5.3
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]+	409.131356	198.3
[M+Na]+	431.113298	204.5
[M-H]-	407.116804	208.7
[M+NH4]+	426.157903	209.3
[M+K]+	447.087238	198.5
[M+H-H2O]+	391.121340	188.0
[M+HCOO]-	453.122281	219.7
[M+CH3COO]-	467.137931	228.3
[M+Na-2H]-	429.098746	201.4
[M]+	408.12353142	203.9
[M]-	408.12462858	203.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.