PubChemLite - 1h-imidazole-4-sulfonamide, n-[3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl]-1-methyl- (C28H33N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(C(=C(C(=O)O1)C(C2=CC(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)C(C)C)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5S/c1-5-14-28(16-20-10-7-6-8-11-20)26(32)25(27(33)36-28)24(19(2)3)21-12-9-13-22(15-21)30-37(34,35)23-17-31(4)18-29-23/h6-13,15,17-19,24,30,32H,5,14,16H2,1-4H3

InChIKey

MIPQTJJNVJXAKU-UHFFFAOYSA-N

Compound name

N-[3-[1-(5-benzyl-4-hydroxy-2-oxo-5-propylfuran-3-yl)-2-methylpropyl]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]+	524.22138	224.8
[M+Na]+	546.20332	230.3
[M-H]-	522.20682	235.3
[M+NH4]+	541.24792	231.4
[M+K]+	562.17726	226.7
[M+H-H2O]+	506.21136	217.0
[M+HCOO]-	568.21230	236.6
[M+CH3COO]-	582.22795	243.1
[M+Na-2H]-	544.18877	221.2
[M]+	523.21355	231.0
[M]-	523.21465	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.22138

224.8

[M+Na]+

546.20332

230.3

[M-H]-

522.20682

235.3

[M+NH4]+

541.24792

231.4

[M+K]+

562.17726

226.7

[M+H-H2O]+

506.21136

217.0

[M+HCOO]-

568.21230

236.6

[M+CH3COO]-

582.22795

243.1

[M+Na-2H]-

544.18877

221.2

[M]+

523.21355

231.0

[M]-

523.21465

231.0

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-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl]-1-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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