PubChemLite - Gw4511 (C23H17ClF4N2O5S)

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)F)C(F)(F)F

InChI

InChI=1S/C23H17ClF4N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-15(24)10-18(20)22(32)13-7-14(23(26,27)28)9-16(25)8-13/h2-10H,11H2,1H3,(H,30,31)(H2,29,33,34)

InChIKey

PNJKKJNQGSBNDN-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]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]+	545.05558	218.1
[M+Na]+	567.03752	226.2
[M-H]-	543.04102	222.6
[M+NH4]+	562.08212	223.3
[M+K]+	583.01146	219.4
[M+H-H2O]+	527.04556	206.2
[M+HCOO]-	589.04650	224.7
[M+CH3COO]-	603.06215	248.1
[M+Na-2H]-	565.02297	216.2
[M]+	544.04775	220.1
[M]-	544.04885	220.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.05558

218.1

[M+Na]+

567.03752

226.2

[M-H]-

543.04102

222.6

[M+NH4]+

562.08212

223.3

[M+K]+

583.01146

219.4

[M+H-H2O]+

527.04556

206.2

[M+HCOO]-

589.04650

224.7

[M+CH3COO]-

603.06215

248.1

[M+Na-2H]-

565.02297

216.2

[M]+

544.04775

220.1

[M]-

544.04885

220.1

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

Gw4511

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe