PubChemLite - Glyburide (C23H28ClN3O5S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

InChIKey

ZNNLBTZKUZBEKO-UHFFFAOYSA-N

Compound name

5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

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]+	494.15111	211.9
[M+Na]+	516.13305	213.5
[M-H]-	492.13655	219.8
[M+NH4]+	511.17765	218.5
[M+K]+	532.10699	208.3
[M+H-H2O]+	476.14109	203.1
[M+HCOO]-	538.14203	221.9
[M+CH3COO]-	552.15768	239.8
[M+Na-2H]-	514.11850	212.3
[M]+	493.14328	213.4
[M]-	493.14438	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.15111

211.9

[M+Na]+

516.13305

213.5

[M-H]-

492.13655

219.8

[M+NH4]+

511.17765

218.5

[M+K]+

532.10699

208.3

[M+H-H2O]+

476.14109

203.1

[M+HCOO]-

538.14203

221.9

[M+CH3COO]-

552.15768

239.8

[M+Na-2H]-

514.11850

212.3

[M]+

493.14328

213.4

[M]-

493.14438

213.4

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

Glyburide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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