PubChemLite - Gw3011 (C26H23ClF4N2O6S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OCCCS(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C26H23ClF4N2O6S/c1-15-9-20(38-7-2-8-40(32,36)37)4-5-22(15)33-24(34)14-39-23-6-3-18(27)13-21(23)25(35)16-10-17(26(29,30)31)12-19(28)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,33,34)(H2,32,36,37)

InChIKey

VMZCSGVUCCGELW-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]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]+	603.09743	233.1
[M+Na]+	625.07937	239.4
[M-H]-	601.08287	236.9
[M+NH4]+	620.12397	235.8
[M+K]+	641.05331	233.0
[M+H-H2O]+	585.08741	220.5
[M+HCOO]-	647.08835	238.9
[M+CH3COO]-	661.10400	258.7
[M+Na-2H]-	623.06482	230.5
[M]+	602.08960	237.4
[M]-	602.09070	237.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

603.09743

233.1

[M+Na]+

625.07937

239.4

[M-H]-

601.08287

236.9

[M+NH4]+

620.12397

235.8

[M+K]+

641.05331

233.0

[M+H-H2O]+

585.08741

220.5

[M+HCOO]-

647.08835

238.9

[M+CH3COO]-

661.10400

258.7

[M+Na-2H]-

623.06482

230.5

[M]+

602.08960

237.4

[M]-

602.09070

237.4

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

Gw3011

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe