Closantel (C22H14Cl2I2N2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)

InChIKey

JMPFSEBWVLAJKM-UHFFFAOYSA-N

Compound name

N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide

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]+	662.859476	220.3
[M+Na]+	684.841418	218.0
[M-H]-	660.844924	214.7
[M+NH4]+	679.886023	220.8
[M+K]+	700.815358	219.8
[M+H-H2O]+	644.849460	203.0
[M+HCOO]-	706.850401	220.2
[M+CH3COO]-	720.866051	247.6
[M+Na-2H]-	682.826866	202.0
[M]+	661.85165142	214.3
[M]-	661.85274858	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.859476

220.3

[M+Na]+

684.841418

218.0

[M-H]-

660.844924

214.7

[M+NH4]+

679.886023

220.8

[M+K]+

700.815358

219.8

[M+H-H2O]+

644.849460

203.0

[M+HCOO]-

706.850401

220.2

[M+CH3COO]-

720.866051

247.6

[M+Na-2H]-

682.826866

202.0

[M]+

661.85165142

214.3

[M]-

661.85274858

214.3

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

Closantel

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe