PubChemLite - 1h-imidazole-4-sulfonamide, n-[3-(cyclopentyl(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-1-methyl (C26H35N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(C2CCCC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O)CCC

InChI

InChI=1S/C26H35N3O5S/c1-4-13-26(14-5-2)24(30)23(25(31)34-26)22(18-9-6-7-10-18)19-11-8-12-20(15-19)28-35(32,33)21-16-29(3)17-27-21/h8,11-12,15-18,22,28,30H,4-7,9-10,13-14H2,1-3H3

InChIKey

AEQYYONFFIDJQK-UHFFFAOYSA-N

Compound name

N-[3-[cyclopentyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-1-methylimidazole-4-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]+	502.23702	218.4
[M+Na]+	524.21896	223.2
[M-H]-	500.22246	229.0
[M+NH4]+	519.26356	228.1
[M+K]+	540.19290	220.3
[M+H-H2O]+	484.22700	212.8
[M+HCOO]-	546.22794	230.2
[M+CH3COO]-	560.24359	237.1
[M+Na-2H]-	522.20441	212.8
[M]+	501.22919	223.1
[M]-	501.23029	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.23702

218.4

[M+Na]+

524.21896

223.2

[M-H]-

500.22246

229.0

[M+NH4]+

519.26356

228.1

[M+K]+

540.19290

220.3

[M+H-H2O]+

484.22700

212.8

[M+HCOO]-

546.22794

230.2

[M+CH3COO]-

560.24359

237.1

[M+Na-2H]-

522.20441

212.8

[M]+

501.22919

223.1

[M]-

501.23029

223.1

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

1h-imidazole-4-sulfonamide, n-[3-(cyclopentyl(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-1-methyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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