PubChemLite - Gw-695634 (C26H21Cl2N3O6S)

Structural Information

Molecular Formula

SMILES

CCC(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)Cl)C

InChI

InChI=1S/C26H21Cl2N3O6S/c1-3-24(32)31-38(35,36)20-5-6-22(15(2)8-20)30-25(33)14-37-23-7-4-18(27)12-21(23)26(34)17-9-16(13-29)10-19(28)11-17/h4-12H,3,14H2,1-2H3,(H,30,33)(H,31,32)

InChIKey

GAQZNFUDILDDDI-UHFFFAOYSA-N

Compound name

N-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonylpropanamide

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]+	574.06008	222.3
[M+Na]+	596.04202	233.4
[M+NH4]+	591.08662	222.9
[M+K]+	612.01596	223.1
[M-H]-	572.04552	218.7
[M+Na-2H]-	594.02747	225.7
[M]+	573.05225	222.8
[M]-	573.05335	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

574.06008

222.3

[M+Na]+

596.04202

233.4

[M+NH4]+

591.08662

222.9

[M+K]+

612.01596

223.1

[M-H]-

572.04552

218.7

[M+Na-2H]-

594.02747

225.7

[M]+

573.05225

222.8

[M]-

573.05335

222.8

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

Gw-695634

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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