PubChemLite - 2-(4-fluoro-phenyl)-5-isopropoxy-6-[methanesulfonyl-(2-oxo-propyl)-amino]-benzofuran-3-carboxylic acid methylamide (C23H25FN2O6S)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(CC(=O)C)S(=O)(=O)C

InChI

InChI=1S/C23H25FN2O6S/c1-13(2)31-20-10-17-19(11-18(20)26(12-14(3)27)33(5,29)30)32-22(21(17)23(28)25-4)15-6-8-16(24)9-7-15/h6-11,13H,12H2,1-5H3,(H,25,28)

InChIKey

GMUKNSLOZHDKLP-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(2-oxopropyl)amino]-5-propan-2-yloxy-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]+	477.14900	212.5
[M+Na]+	499.13094	219.2
[M-H]-	475.13444	221.4
[M+NH4]+	494.17554	222.2
[M+K]+	515.10488	218.3
[M+H-H2O]+	459.13898	204.0
[M+HCOO]-	521.13992	228.1
[M+CH3COO]-	535.15557	243.9
[M+Na-2H]-	497.11639	211.4
[M]+	476.14117	222.5
[M]-	476.14227	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.14900

212.5

[M+Na]+

499.13094

219.2

[M-H]-

475.13444

221.4

[M+NH4]+

494.17554

222.2

[M+K]+

515.10488

218.3

[M+H-H2O]+

459.13898

204.0

[M+HCOO]-

521.13992

228.1

[M+CH3COO]-

535.15557

243.9

[M+Na-2H]-

497.11639

211.4

[M]+

476.14117

222.5

[M]-

476.14227

222.5

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)-5-isopropoxy-6-[methanesulfonyl-(2-oxo-propyl)-amino]-benzofuran-3-carboxylic acid methylamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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