Glisindamide (C24H28N4O5S)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N4O5S/c29-22-21-9-5-4-6-18(21)16-28(22)24(31)25-15-14-17-10-12-20(13-11-17)34(32,33)27-23(30)26-19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14-16H2,(H,25,31)(H2,26,27,30)

InChIKey

GBKGGLHRMGPFMB-UHFFFAOYSA-N

Compound name

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide

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]+	485.185316	209.0
[M+Na]+	507.167258	210.0
[M-H]-	483.170764	216.4
[M+NH4]+	502.211863	216.3
[M+K]+	523.141198	205.6
[M+H-H2O]+	467.175300	200.1
[M+HCOO]-	529.176241	221.2
[M+CH3COO]-	543.191891	238.8
[M+Na-2H]-	505.152706	210.1
[M]+	484.17749142	206.8
[M]-	484.17858858	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.185316

209.0

[M+Na]+

507.167258

210.0

[M-H]-

483.170764

216.4

[M+NH4]+

502.211863

216.3

[M+K]+

523.141198

205.6

[M+H-H2O]+

467.175300

200.1

[M+HCOO]-

529.176241

221.2

[M+CH3COO]-

543.191891

238.8

[M+Na-2H]-

505.152706

210.1

[M]+

484.17749142

206.8

[M]-

484.17858858

206.8

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

Glisindamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe