CID 6875622

N'-[3-(benzyloxy)benzylidene]-3,4,5-trimethoxybenzohydrazide

Structural Information

Molecular Formula

C₂₄H₂₄N₂O₅

SMILES

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

InChI

InChI=1S/C24H24N2O5/c1-28-21-13-19(14-22(29-2)23(21)30-3)24(27)26-25-15-18-10-7-11-20(12-18)31-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+

InChIKey

ANHPAJAHROGBPK-MFKUBSTISA-N

Compound name

3,4,5-trimethoxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 420.16852 Da
Monoisotopic Mass: 4.2
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]+	421.175796	201.2
[M+Na]+	443.157738	206.4
[M-H]-	419.161244	212.0
[M+NH4]+	438.202343	210.7
[M+K]+	459.131678	203.6
[M+H-H2O]+	403.165780	189.5
[M+HCOO]-	465.166721	227.0
[M+CH3COO]-	479.182371	233.4
[M+Na-2H]-	441.143186	203.8
[M]+	420.16797142	207.6
[M]-	420.16906858	207.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.