PubChemLite - N,n-bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide (C25H29NO8S3)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3

InChIKey

VJDZYMIEDBLSDT-UHFFFAOYSA-N

Compound name

2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate

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]+	568.11278	233.5
[M+Na]+	590.09472	236.9
[M-H]-	566.09822	241.0
[M+NH4]+	585.13932	236.7
[M+K]+	606.06866	230.9
[M+H-H2O]+	550.10276	223.1
[M+HCOO]-	612.10370	238.7
[M+CH3COO]-	626.11935	246.5
[M+Na-2H]-	588.08017	238.9
[M]+	567.10495	241.4
[M]-	567.10605	241.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.11278

233.5

[M+Na]+

590.09472

236.9

[M-H]-

566.09822

241.0

[M+NH4]+

585.13932

236.7

[M+K]+

606.06866

230.9

[M+H-H2O]+

550.10276

223.1

[M+HCOO]-

612.10370

238.7

[M+CH3COO]-

626.11935

246.5

[M+Na-2H]-

588.08017

238.9

[M]+

567.10495

241.4

[M]-

567.10605

241.4

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

N,n-bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe