PubChemLite - 2-(4-fluorophenyl)-5-methoxy-n-methyl-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]benzofuran-3-carboxamide (C20H18F4N2O5S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(CC(F)(F)F)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18F4N2O5S/c1-25-19(27)17-13-8-16(30-2)14(26(32(3,28)29)10-20(22,23)24)9-15(13)31-18(17)11-4-6-12(21)7-5-11/h4-9H,10H2,1-3H3,(H,25,27)

InChIKey

KQEFVJSTLLWJRK-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[methylsulfonyl(2,2,2-trifluoroethyl)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]+	475.09453	205.9
[M+Na]+	497.07647	215.3
[M-H]-	473.07997	211.4
[M+NH4]+	492.12107	216.1
[M+K]+	513.05041	212.7
[M+H-H2O]+	457.08451	195.3
[M+HCOO]-	519.08545	219.6
[M+CH3COO]-	533.10110	239.5
[M+Na-2H]-	495.06192	207.5
[M]+	474.08670	211.5
[M]-	474.08780	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.09453

205.9

[M+Na]+

497.07647

215.3

[M-H]-

473.07997

211.4

[M+NH4]+

492.12107

216.1

[M+K]+

513.05041

212.7

[M+H-H2O]+

457.08451

195.3

[M+HCOO]-

519.08545

219.6

[M+CH3COO]-

533.10110

239.5

[M+Na-2H]-

495.06192

207.5

[M]+

474.08670

211.5

[M]-

474.08780

211.5

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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