4-((4-chlorobenzyl)oxy)-n'-(3-((4-chlorobenzyl)oxy)benzylidene)benzohydrazide (C28H22Cl2N2O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H22Cl2N2O3/c29-24-10-4-20(5-11-24)18-34-26-14-8-23(9-15-26)28(33)32-31-17-22-2-1-3-27(16-22)35-19-21-6-12-25(30)13-7-21/h1-17H,18-19H2,(H,32,33)/b31-17+

InChIKey

VIFIQEWOOLQAKP-KBVAKVRCSA-N

Compound name

4-[(4-chlorophenyl)methoxy]-N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

Related CIDs

2D Structure

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]+	505.108016	221.7
[M+Na]+	527.089958	228.1
[M-H]-	503.093464	233.8
[M+NH4]+	522.134563	228.8
[M+K]+	543.063898	220.2
[M+H-H2O]+	487.098000	210.1
[M+HCOO]-	549.098941	237.2
[M+CH3COO]-	563.114591	229.5
[M+Na-2H]-	525.075406	223.0
[M]+	504.10019142	228.4
[M]-	504.10128858	228.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.108016

221.7

[M+Na]+

527.089958

228.1

[M-H]-

503.093464

233.8

[M+NH4]+

522.134563

228.8

[M+K]+

543.063898

220.2

[M+H-H2O]+

487.098000

210.1

[M+HCOO]-

549.098941

237.2

[M+CH3COO]-

563.114591

229.5

[M+Na-2H]-

525.075406

223.0

[M]+

504.10019142

228.4

[M]-

504.10128858

228.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-((4-chlorobenzyl)oxy)-n'-(3-((4-chlorobenzyl)oxy)benzylidene)benzohydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe