PubChemLite - 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]+	662.85948	220.3
[M+Na]+	684.84142	218.0
[M-H]-	660.84492	214.7
[M+NH4]+	679.88602	220.8
[M+K]+	700.81536	219.8
[M+H-H2O]+	644.84946	203.0
[M+HCOO]-	706.85040	220.2
[M+CH3COO]-	720.86605	247.6
[M+Na-2H]-	682.82687	202.0
[M]+	661.85165	214.3
[M]-	661.85275	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.85948

220.3

[M+Na]+

684.84142

218.0

[M-H]-

660.84492

214.7

[M+NH4]+

679.88602

220.8

[M+K]+

700.81536

219.8

[M+H-H2O]+

644.84946

203.0

[M+HCOO]-

706.85040

220.2

[M+CH3COO]-

720.86605

247.6

[M+Na-2H]-

682.82687

202.0

[M]+

661.85165

214.3

[M]-

661.85275

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