PubChemLite - Benzenesulfonamide, 4-fluoro-n-[3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl- (C30H32FNO5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(C)C)O)CC4=CC=CC=C4

InChI

InChI=1S/C30H32FNO5S/c1-4-17-30(19-21-9-6-5-7-10-21)28(33)27(29(34)37-30)26(20(2)3)22-11-8-12-24(18-22)32-38(35,36)25-15-13-23(31)14-16-25/h5-16,18,20,26,32-33H,4,17,19H2,1-3H3

InChIKey

YFCZHNOICOFCAU-UHFFFAOYSA-N

Compound name

N-[3-[1-(5-benzyl-4-hydroxy-2-oxo-5-propylfuran-3-yl)-2-methylpropyl]phenyl]-4-fluorobenzenesulfonamide

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]+	538.20583	229.5
[M+Na]+	560.18777	234.3
[M-H]-	536.19127	240.0
[M+NH4]+	555.23237	236.0
[M+K]+	576.16171	229.9
[M+H-H2O]+	520.19581	219.9
[M+HCOO]-	582.19675	240.9
[M+CH3COO]-	596.21240	246.5
[M+Na-2H]-	558.17322	226.6
[M]+	537.19800	233.3
[M]-	537.19910	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

538.20583

229.5

[M+Na]+

560.18777

234.3

[M-H]-

536.19127

240.0

[M+NH4]+

555.23237

236.0

[M+K]+

576.16171

229.9

[M+H-H2O]+

520.19581

219.9

[M+HCOO]-

582.19675

240.9

[M+CH3COO]-

596.21240

246.5

[M+Na-2H]-

558.17322

226.6

[M]+

537.19800

233.3

[M]-

537.19910

233.3

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

Benzenesulfonamide, 4-fluoro-n-[3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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