CID 51061002

4-((4-chlorobenzyl)oxy)-n'-(2,3-dimethoxybenzylidene)benzohydrazide

Structural Information

Molecular Formula

C₂₃H₂₁ClN₂O₄

SMILES

COC1=CC=CC(=C1OC)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O4/c1-28-21-5-3-4-18(22(21)29-2)14-25-26-23(27)17-8-12-20(13-9-17)30-15-16-6-10-19(24)11-7-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+

InChIKey

FSSPPHCXVIQUEP-AFUMVMLFSA-N

Compound name

4-[(4-chlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.119 Da
Monoisotopic Mass: 4.9
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]+	425.126276	201.2
[M+Na]+	447.108218	208.0
[M-H]-	423.111724	212.0
[M+NH4]+	442.152823	211.7
[M+K]+	463.082158	203.0
[M+H-H2O]+	407.116260	190.8
[M+HCOO]-	469.117201	222.8
[M+CH3COO]-	483.132851	231.7
[M+Na-2H]-	445.093666	203.6
[M]+	424.11845142	208.6
[M]-	424.11954858	208.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.