PubChemLite - Benzenesulfonamide, n,n'-(4-hydroxy-1,3-phenylene)bis(4-(dodecyloxy)- (C42H64N2O7S2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=C(C=C3)OCCCCCCCCCCCC

InChI

InChI=1S/C42H64N2O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-50-37-24-28-39(29-25-37)52(46,47)43-36-23-32-42(45)41(35-36)44-53(48,49)40-30-26-38(27-31-40)51-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35,43-45H,3-22,33-34H2,1-2H3

InChIKey

CSQXGPMRNVVHDI-UHFFFAOYSA-N

Compound name

4-dodecoxy-N-[3-[(4-dodecoxyphenyl)sulfonylamino]-4-hydroxyphenyl]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]+	773.42275	283.7
[M+Na]+	795.40469	278.8
[M-H]-	771.40819	286.1
[M+NH4]+	790.44929	277.4
[M+K]+	811.37863	270.2
[M+H-H2O]+	755.41273	270.2
[M+HCOO]-	817.41367	288.7
[M+CH3COO]-	831.42932	289.5
[M+Na-2H]-	793.39014	281.8
[M]+	772.41492	295.1
[M]-	772.41602	295.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

773.42275

283.7

[M+Na]+

795.40469

278.8

[M-H]-

771.40819

286.1

[M+NH4]+

790.44929

277.4

[M+K]+

811.37863

270.2

[M+H-H2O]+

755.41273

270.2

[M+HCOO]-

817.41367

288.7

[M+CH3COO]-

831.42932

289.5

[M+Na-2H]-

793.39014

281.8

[M]+

772.41492

295.1

[M]-

772.41602

295.1

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

Benzenesulfonamide, n,n'-(4-hydroxy-1,3-phenylene)bis(4-(dodecyloxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe