PubChemLite - 1h-imidazole-4-sulfonamide, n-[3-(1-(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-3-methyl-butyl)-phenyl-1-methyl- (C25H35N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(CC(C)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O)CCC

InChI

InChI=1S/C25H35N3O5S/c1-6-11-25(12-7-2)23(29)22(24(30)33-25)20(13-17(3)4)18-9-8-10-19(14-18)27-34(31,32)21-15-28(5)16-26-21/h8-10,14-17,20,27,29H,6-7,11-13H2,1-5H3

InChIKey

WKRCFJZDZDHFQT-UHFFFAOYSA-N

Compound name

N-[3-[1-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)-3-methylbutyl]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]+	490.23702	217.0
[M+Na]+	512.21896	222.6
[M-H]-	488.22246	224.3
[M+NH4]+	507.26356	225.7
[M+K]+	528.19290	219.5
[M+H-H2O]+	472.22700	210.5
[M+HCOO]-	534.22794	228.4
[M+CH3COO]-	548.24359	238.2
[M+Na-2H]-	510.20441	212.9
[M]+	489.22919	224.8
[M]-	489.23029	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.23702

217.0

[M+Na]+

512.21896

222.6

[M-H]-

488.22246

224.3

[M+NH4]+

507.26356

225.7

[M+K]+

528.19290

219.5

[M+H-H2O]+

472.22700

210.5

[M+HCOO]-

534.22794

228.4

[M+CH3COO]-

548.24359

238.2

[M+Na-2H]-

510.20441

212.9

[M]+

489.22919

224.8

[M]-

489.23029

224.8

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-(1-(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-3-methyl-butyl)-phenyl-1-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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