PubChemLite - Chembl201485 (C24H23ClN2O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H23ClN2O5S/c1-14-8-15(2)10-17(9-14)24(29)20-12-18(25)4-7-22(20)32-13-23(28)27-21-6-5-19(11-16(21)3)33(26,30)31/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,30,31)

InChIKey

SQGNYTDBQSSZEE-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-(3,5-dimethylbenzoyl)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]+	487.10890	213.3
[M+Na]+	509.09084	220.5
[M-H]-	485.09434	223.0
[M+NH4]+	504.13544	221.1
[M+K]+	525.06478	214.6
[M+H-H2O]+	469.09888	204.6
[M+HCOO]-	531.09982	225.2
[M+CH3COO]-	545.11547	241.0
[M+Na-2H]-	507.07629	211.5
[M]+	486.10107	220.2
[M]-	486.10217	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.10890

213.3

[M+Na]+

509.09084

220.5

[M-H]-

485.09434

223.0

[M+NH4]+

504.13544

221.1

[M+K]+

525.06478

214.6

[M+H-H2O]+

469.09888

204.6

[M+HCOO]-

531.09982

225.2

[M+CH3COO]-

545.11547

241.0

[M+Na-2H]-

507.07629

211.5

[M]+

486.10107

220.2

[M]-

486.10217

220.2

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

Chembl201485

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe