PubChemLite - Chembl201343 (C23H20Cl2N2O5S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)Cl)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C23H20Cl2N2O5S/c1-13-7-15(10-17(25)8-13)23(29)19-11-16(24)3-6-21(19)32-12-22(28)27-20-5-4-18(9-14(20)2)33(26,30)31/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,30,31)

InChIKey

BMOJLYKWVNBRLY-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-(3-chloro-5-methylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

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]+	507.05428	213.1
[M+Na]+	529.03622	221.1
[M-H]-	505.03972	222.5
[M+NH4]+	524.08082	220.8
[M+K]+	545.01016	214.6
[M+H-H2O]+	489.04426	205.8
[M+HCOO]-	551.04520	220.7
[M+CH3COO]-	565.06085	241.6
[M+Na-2H]-	527.02167	211.4
[M]+	506.04645	221.3
[M]-	506.04755	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.05428

213.1

[M+Na]+

529.03622

221.1

[M-H]-

505.03972

222.5

[M+NH4]+

524.08082

220.8

[M+K]+

545.01016

214.6

[M+H-H2O]+

489.04426

205.8

[M+HCOO]-

551.04520

220.7

[M+CH3COO]-

565.06085

241.6

[M+Na-2H]-

527.02167

211.4

[M]+

506.04645

221.3

[M]-

506.04755

221.3

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

Chembl201343

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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