PubChemLite - N,n'-ethane-1,2-diylbis[4-methyl-n-(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide] (C34H42N4O8S4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H42N4O8S4/c1-27-5-13-31(14-6-27)47(39,40)35-21-23-37(49(43,44)33-17-9-29(3)10-18-33)25-26-38(50(45,46)34-19-11-30(4)12-20-34)24-22-36-48(41,42)32-15-7-28(2)8-16-32/h5-20,35-36H,21-26H2,1-4H3

InChIKey

QIWSTPSOLZVXIB-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]benzenesulfonamide

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]+	763.19582	272.4
[M+Na]+	785.17776	269.7
[M-H]-	761.18126	278.5
[M+NH4]+	780.22236	266.3
[M+K]+	801.15170	261.8
[M+H-H2O]+	745.18580	259.8
[M+HCOO]-	807.18674	272.0
[M+CH3COO]-	821.20239	285.3
[M+Na-2H]-	783.16321	284.9
[M]+	762.18799	274.5
[M]-	762.18909	274.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

763.19582

272.4

[M+Na]+

785.17776

269.7

[M-H]-

761.18126

278.5

[M+NH4]+

780.22236

266.3

[M+K]+

801.15170

261.8

[M+H-H2O]+

745.18580

259.8

[M+HCOO]-

807.18674

272.0

[M+CH3COO]-

821.20239

285.3

[M+Na-2H]-

783.16321

284.9

[M]+

762.18799

274.5

[M]-

762.18909

274.5

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

N,n'-ethane-1,2-diylbis[4-methyl-n-(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe