PubChemLite - Butanamide, 4,4'-(1,2-diselanediyl)bis[n-[4-[(acetylamino)sulfonyl]phenyl]- (C24H30N4O8S2Se2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H30N4O8S2Se2/c1-17(29)27-37(33,34)21-11-7-19(8-12-21)25-23(31)5-3-15-39-40-16-4-6-24(32)26-20-9-13-22(14-10-20)38(35,36)28-18(2)30/h7-14H,3-6,15-16H2,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)

InChIKey

KKVLBDBOXWHFMW-UHFFFAOYSA-N

Compound name

4-[[4-[4-(acetylsulfamoyl)anilino]-4-oxobutyl]diselanyl]-N-[4-(acetylsulfamoyl)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]+	726.99078	256.8
[M+Na]+	748.97272	253.2
[M-H]-	724.97622	258.4
[M+NH4]+	744.01732	255.7
[M+K]+	764.94666	248.4
[M+H-H2O]+	708.98076	244.9
[M+HCOO]-	770.98170	264.1
[M+CH3COO]-	784.99735	264.6
[M+Na-2H]-	746.95817	256.7
[M]+	725.98295	261.3
[M]-	725.98405	261.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

726.99078

256.8

[M+Na]+

748.97272

253.2

[M-H]-

724.97622

258.4

[M+NH4]+

744.01732

255.7

[M+K]+

764.94666

248.4

[M+H-H2O]+

708.98076

244.9

[M+HCOO]-

770.98170

264.1

[M+CH3COO]-

784.99735

264.6

[M+Na-2H]-

746.95817

256.7

[M]+

725.98295

261.3

[M]-

725.98405

261.3

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-[(acetylamino)sulfonyl]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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