PubChemLite - Chembl427200 (C24H23ClN2O7S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C24H23ClN2O7S/c1-14-8-19(35(26,30)31)5-6-21(14)27-23(28)13-34-22-7-4-16(25)11-20(22)24(29)15-9-17(32-2)12-18(10-15)33-3/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,30,31)

InChIKey

DSYIOLJCYYJVBT-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-(3,5-dimethoxybenzoyl)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]+	519.09871	217.9
[M+Na]+	541.08065	224.2
[M-H]-	517.08415	227.5
[M+NH4]+	536.12525	224.0
[M+K]+	557.05459	220.2
[M+H-H2O]+	501.08869	208.8
[M+HCOO]-	563.08963	230.2
[M+CH3COO]-	577.10528	245.5
[M+Na-2H]-	539.06610	217.0
[M]+	518.09088	227.5
[M]-	518.09198	227.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.09871

217.9

[M+Na]+

541.08065

224.2

[M-H]-

517.08415

227.5

[M+NH4]+

536.12525

224.0

[M+K]+

557.05459

220.2

[M+H-H2O]+

501.08869

208.8

[M+HCOO]-

563.08963

230.2

[M+CH3COO]-

577.10528

245.5

[M+Na-2H]-

539.06610

217.0

[M]+

518.09088

227.5

[M]-

518.09198

227.5

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

Chembl427200

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe