PubChemLite - 2-(4-fluoro-phenyl)-6-(methanesulfonyl-methoxymethyl-amino)-5-propoxy-benzofuran-3-carboxylic acid methylamide (C22H25FN2O6S)

Structural Information

Molecular Formula

SMILES

CCCOC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(CS(=O)(=O)C)OC

InChI

InChI=1S/C22H25FN2O6S/c1-5-10-30-19-11-16-18(12-17(19)25(29-3)13-32(4,27)28)31-21(20(16)22(26)24-2)14-6-8-15(23)9-7-14/h6-9,11-12H,5,10,13H2,1-4H3,(H,24,26)

InChIKey

SFPFJILVOXISIY-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-6-[methoxy(methylsulfonylmethyl)amino]-N-methyl-5-propoxy-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]+	465.14900	209.7
[M+Na]+	487.13094	217.4
[M-H]-	463.13444	218.7
[M+NH4]+	482.17554	220.2
[M+K]+	503.10488	215.8
[M+H-H2O]+	447.13898	200.8
[M+HCOO]-	509.13992	227.6
[M+CH3COO]-	523.15557	239.9
[M+Na-2H]-	485.11639	210.8
[M]+	464.14117	221.2
[M]-	464.14227	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.14900

209.7

[M+Na]+

487.13094

217.4

[M-H]-

463.13444

218.7

[M+NH4]+

482.17554

220.2

[M+K]+

503.10488

215.8

[M+H-H2O]+

447.13898

200.8

[M+HCOO]-

509.13992

227.6

[M+CH3COO]-

523.15557

239.9

[M+Na-2H]-

485.11639

210.8

[M]+

464.14117

221.2

[M]-

464.14227

221.2

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

2-(4-fluoro-phenyl)-6-(methanesulfonyl-methoxymethyl-amino)-5-propoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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