PubChemLite - Benzenesulfonamide, 4-cyano-n-[3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl- (C31H32N2O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H32N2O5S/c1-4-17-31(19-22-9-6-5-7-10-22)29(34)28(30(35)38-31)27(21(2)3)24-11-8-12-25(18-24)33-39(36,37)26-15-13-23(20-32)14-16-26/h5-16,18,21,27,33-34H,4,17,19H2,1-3H3

InChIKey

FFPOVUVEVNHYPX-UHFFFAOYSA-N

Compound name

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

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]+	545.21048	246.5
[M+Na]+	567.19242	254.1
[M-H]-	543.19592	255.6
[M+NH4]+	562.23702	251.7
[M+K]+	583.16636	246.9
[M+H-H2O]+	527.20046	231.2
[M+HCOO]-	589.20140	255.3
[M+CH3COO]-	603.21705	253.1
[M+Na-2H]-	565.17787	242.3
[M]+	544.20265	245.2
[M]-	544.20375	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.21048

246.5

[M+Na]+

567.19242

254.1

[M-H]-

543.19592

255.6

[M+NH4]+

562.23702

251.7

[M+K]+

583.16636

246.9

[M+H-H2O]+

527.20046

231.2

[M+HCOO]-

589.20140

255.3

[M+CH3COO]-

603.21705

253.1

[M+Na-2H]-

565.17787

242.3

[M]+

544.20265

245.2

[M]-

544.20375

245.2

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

Benzenesulfonamide, 4-cyano-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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