PubChemLite - Butanamide, 4,4'-(1,2-diselanediyl)bis[n-[4-(1-piperidinylsulfonyl)phenyl]- (C30H42N4O6S2Se2)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC[Se][Se]CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C30H42N4O6S2Se2/c35-29(31-25-11-15-27(16-12-25)41(37,38)33-19-3-1-4-20-33)9-7-23-43-44-24-8-10-30(36)32-26-13-17-28(18-14-26)42(39,40)34-21-5-2-6-22-34/h11-18H,1-10,19-24H2,(H,31,35)(H,32,36)

InChIKey

JPWODIDZVRDHTH-UHFFFAOYSA-N

Compound name

4-[[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]diselanyl]-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

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]+	779.09493	263.7
[M+Na]+	801.07687	257.6
[M-H]-	777.08037	266.7
[M+NH4]+	796.12147	258.1
[M+K]+	817.05081	250.9
[M+H-H2O]+	761.08491	251.0
[M+HCOO]-	823.08585	261.6
[M+CH3COO]-	837.10150	267.5
[M+Na-2H]-	799.06232	262.1
[M]+	778.08710	260.1
[M]-	778.08820	260.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

779.09493

263.7

[M+Na]+

801.07687

257.6

[M-H]-

777.08037

266.7

[M+NH4]+

796.12147

258.1

[M+K]+

817.05081

250.9

[M+H-H2O]+

761.08491

251.0

[M+HCOO]-

823.08585

261.6

[M+CH3COO]-

837.10150

267.5

[M+Na-2H]-

799.06232

262.1

[M]+

778.08710

260.1

[M]-

778.08820

260.1

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

Butanamide, 4,4'-(1,2-diselanediyl)bis[n-[4-(1-piperidinylsulfonyl)phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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