765286-12-2 (C23H19Cl2N3O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19Cl2N3O3/c24-19-8-4-17(5-9-19)15-31-21-10-6-16(7-11-21)13-27-28-22(29)14-26-23(30)18-2-1-3-20(25)12-18/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+

InChIKey

XQQXMCRCZWHCAT-UVHMKAGCSA-N

Compound name

3-chloro-N-[2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]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]+	456.087626	207.2
[M+Na]+	478.069568	213.0
[M-H]-	454.073074	216.8
[M+NH4]+	473.114173	216.5
[M+K]+	494.043508	206.1
[M+H-H2O]+	438.077610	197.7
[M+HCOO]-	500.078551	223.9
[M+CH3COO]-	514.094201	236.7
[M+Na-2H]-	476.055016	209.0
[M]+	455.07980142	212.6
[M]-	455.08089858	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.087626

207.2

[M+Na]+

478.069568

213.0

[M-H]-

454.073074

216.8

[M+NH4]+

473.114173

216.5

[M+K]+

494.043508

206.1

[M+H-H2O]+

438.077610

197.7

[M+HCOO]-

500.078551

223.9

[M+CH3COO]-

514.094201

236.7

[M+Na-2H]-

476.055016

209.0

[M]+

455.07980142

212.6

[M]-

455.08089858

212.6

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

765286-12-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe