PubChemLite - 1h-imidazole-4-sulfonamide, n-[3-(cyclopropyl(4-hydroxy-2-oxo-5,5-dibenzyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-1-methyl (C32H31N3O5S)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC(=C2)C(C3CC3)C4=C(C(OC4=O)(CC5=CC=CC=C5)CC6=CC=CC=C6)O

InChI

InChI=1S/C32H31N3O5S/c1-35-20-27(33-21-35)41(38,39)34-26-14-8-13-25(17-26)28(24-15-16-24)29-30(36)32(40-31(29)37,18-22-9-4-2-5-10-22)19-23-11-6-3-7-12-23/h2-14,17,20-21,24,28,34,36H,15-16,18-19H2,1H3

InChIKey

GNRVBRPSDOGFRB-UHFFFAOYSA-N

Compound name

N-[3-[cyclopropyl-(5,5-dibenzyl-4-hydroxy-2-oxofuran-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]+	570.20568	222.2
[M+Na]+	592.18762	228.9
[M-H]-	568.19112	237.9
[M+NH4]+	587.23222	222.1
[M+K]+	608.16156	224.5
[M+H-H2O]+	552.19566	215.1
[M+HCOO]-	614.19660	235.5
[M+CH3COO]-	628.21225	229.2
[M+Na-2H]-	590.17307	220.6
[M]+	569.19785	228.6
[M]-	569.19895	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.20568

222.2

[M+Na]+

592.18762

228.9

[M-H]-

568.19112

237.9

[M+NH4]+

587.23222

222.1

[M+K]+

608.16156

224.5

[M+H-H2O]+

552.19566

215.1

[M+HCOO]-

614.19660

235.5

[M+CH3COO]-

628.21225

229.2

[M+Na-2H]-

590.17307

220.6

[M]+

569.19785

228.6

[M]-

569.19895

228.6

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-(cyclopropyl(4-hydroxy-2-oxo-5,5-dibenzyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-1-methyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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