PubChemLite - Hydroxyglimepiride (C24H34N4O6S)

Structural Information

Molecular Formula

SMILES

CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)CO)C

InChI

InChI=1S/C24H34N4O6S/c1-3-21-16(2)14-28(22(21)30)24(32)25-13-12-17-6-10-20(11-7-17)35(33,34)27-23(31)26-19-8-4-18(15-29)5-9-19/h6-7,10-11,18-19,29H,3-5,8-9,12-15H2,1-2H3,(H,25,32)(H2,26,27,31)

InChIKey

YUNQMQLWOOVHKI-UHFFFAOYSA-N

Compound name

4-ethyl-N-[2-[4-[[4-(hydroxymethyl)cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-3-methyl-5-oxo-2H-pyrrole-1-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]+	507.22718	218.0
[M+Na]+	529.20912	218.4
[M-H]-	505.21262	223.6
[M+NH4]+	524.25372	223.2
[M+K]+	545.18306	214.3
[M+H-H2O]+	489.21716	209.3
[M+HCOO]-	551.21810	228.9
[M+CH3COO]-	565.23375	243.9
[M+Na-2H]-	527.19457	214.4
[M]+	506.21935	217.0
[M]-	506.22045	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.22718

218.0

[M+Na]+

529.20912

218.4

[M-H]-

505.21262

223.6

[M+NH4]+

524.25372

223.2

[M+K]+

545.18306

214.3

[M+H-H2O]+

489.21716

209.3

[M+HCOO]-

551.21810

228.9

[M+CH3COO]-

565.23375

243.9

[M+Na-2H]-

527.19457

214.4

[M]+

506.21935

217.0

[M]-

506.22045

217.0

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

Hydroxyglimepiride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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