PubChemLite - Butanamide, 4,4'-(1,2-diselanediyl)bis[n-[4-[(butylamino)sulfonyl]phenyl]- (C28H42N4O6S2Se2)

Structural Information

Molecular Formula

SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC[Se][Se]CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCCC

InChI

InChI=1S/C28H42N4O6S2Se2/c1-3-5-19-29-39(35,36)25-15-11-23(12-16-25)31-27(33)9-7-21-41-42-22-8-10-28(34)32-24-13-17-26(18-14-24)40(37,38)30-20-6-4-2/h11-18,29-30H,3-10,19-22H2,1-2H3,(H,31,33)(H,32,34)

InChIKey

MOWUUFUUTQWPIS-UHFFFAOYSA-N

Compound name

4-[[4-[4-(butylsulfamoyl)anilino]-4-oxobutyl]diselanyl]-N-[4-(butylsulfamoyl)phenyl]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]+	755.09493	267.1
[M+Na]+	777.07687	262.7
[M-H]-	753.08037	267.9
[M+NH4]+	772.12147	265.5
[M+K]+	793.05081	255.3
[M+H-H2O]+	737.08491	254.3
[M+HCOO]-	799.08585	274.5
[M+CH3COO]-	813.10150	272.2
[M+Na-2H]-	775.06232	266.2
[M]+	754.08710	272.9
[M]-	754.08820	272.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

755.09493

267.1

[M+Na]+

777.07687

262.7

[M-H]-

753.08037

267.9

[M+NH4]+

772.12147

265.5

[M+K]+

793.05081

255.3

[M+H-H2O]+

737.08491

254.3

[M+HCOO]-

799.08585

274.5

[M+CH3COO]-

813.10150

272.2

[M+Na-2H]-

775.06232

266.2

[M]+

754.08710

272.9

[M]-

754.08820

272.9

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-[(butylamino)sulfonyl]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe