PubChemLite - 2-pyridinesulfonamide, n-[3-[(6,6-dicyclopentyl-5,6-dihydro-4-hydroxy-2-oxo-2h-pyran-3-yl)propylamino]phenyl]- (C29H37N3O5S)

Structural Information

Molecular Formula

SMILES

CCCN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC=N2)C3=C(CC(OC3=O)(C4CCCC4)C5CCCC5)O

InChI

InChI=1S/C29H37N3O5S/c1-2-18-32(24-15-9-14-23(19-24)31-38(35,36)26-16-7-8-17-30-26)27-25(33)20-29(37-28(27)34,21-10-3-4-11-21)22-12-5-6-13-22/h7-9,14-17,19,21-22,31,33H,2-6,10-13,18,20H2,1H3

InChIKey

QKLIDUNYYKPDHI-UHFFFAOYSA-N

Compound name

N-[3-[(2,2-dicyclopentyl-4-hydroxy-6-oxo-3H-pyran-5-yl)-propylamino]phenyl]pyridine-2-sulfonamide

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]+	540.25268	224.3
[M+Na]+	562.23462	225.1
[M-H]-	538.23812	237.8
[M+NH4]+	557.27922	230.8
[M+K]+	578.20856	222.3
[M+H-H2O]+	522.24266	215.8
[M+HCOO]-	584.24360	234.9
[M+CH3COO]-	598.25925	246.9
[M+Na-2H]-	560.22007	221.3
[M]+	539.24485	222.5
[M]-	539.24595	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.25268

224.3

[M+Na]+

562.23462

225.1

[M-H]-

538.23812

237.8

[M+NH4]+

557.27922

230.8

[M+K]+

578.20856

222.3

[M+H-H2O]+

522.24266

215.8

[M+HCOO]-

584.24360

234.9

[M+CH3COO]-

598.25925

246.9

[M+Na-2H]-

560.22007

221.3

[M]+

539.24485

222.5

[M]-

539.24595

222.5

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

2-pyridinesulfonamide, n-[3-[(6,6-dicyclopentyl-5,6-dihydro-4-hydroxy-2-oxo-2h-pyran-3-yl)propylamino]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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