CID 42574

Closantel

Structural Information

Molecular Formula
C22H14Cl2I2N2O2
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

compound 2d structure
6
Annotation Hits

255
References

9875
Patents

661.8522 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.85948 220.5
[M+Na]+ 684.84142 220.3
[M+NH4]+ 679.88602 217.1
[M+K]+ 700.81536 215.7
[M-H]- 660.84492 209.9
[M+Na-2H]- 682.82687 206.0
[M]+ 661.85165 215.8
[M]- 661.85275 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe