PubChemLite - 5-[[2-(difluoromethoxy)phenyl]methoxy]-2-(4-fluorophenyl)-n-methyl-6-[methyl(methylsulfonyl)amino]benzofuran-3-carboxamide (C26H23F3N2O6S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3OC(F)F)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23F3N2O6S/c1-30-25(32)23-18-12-22(35-14-16-6-4-5-7-20(16)37-26(28)29)19(31(2)38(3,33)34)13-21(18)36-24(23)15-8-10-17(27)11-9-15/h4-13,26H,14H2,1-3H3,(H,30,32)

InChIKey

MHVVCTSENIWUFD-UHFFFAOYSA-N

Compound name

5-[[2-(difluoromethoxy)phenyl]methoxy]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

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]+	549.13014	228.2
[M+Na]+	571.11208	235.8
[M-H]-	547.11558	237.7
[M+NH4]+	566.15668	234.6
[M+K]+	587.08602	233.4
[M+H-H2O]+	531.12012	216.4
[M+HCOO]-	593.12106	242.8
[M+CH3COO]-	607.13671	254.8
[M+Na-2H]-	569.09753	227.1
[M]+	548.12231	236.3
[M]-	548.12341	236.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.13014

228.2

[M+Na]+

571.11208

235.8

[M-H]-

547.11558

237.7

[M+NH4]+

566.15668

234.6

[M+K]+

587.08602

233.4

[M+H-H2O]+

531.12012

216.4

[M+HCOO]-

593.12106

242.8

[M+CH3COO]-

607.13671

254.8

[M+Na-2H]-

569.09753

227.1

[M]+

548.12231

236.3

[M]-

548.12341

236.3

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

5-[[2-(difluoromethoxy)phenyl]methoxy]-2-(4-fluorophenyl)-n-methyl-6-[methyl(methylsulfonyl)amino]benzofuran-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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