CID 95080

6636-13-1

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₂S

SMILES

CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H22N2O2S/c1-4-15(5-2)11-10-14-18(16,17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3

InChIKey

UDVZDSBQHHMVLW-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 270.1402 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

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]+	271.14748	163.4
[M+Na]+	293.12942	172.6
[M+NH4]+	288.17402	170.4
[M+K]+	309.10336	165.1
[M-H]-	269.13292	165.4
[M+Na-2H]-	291.11487	168.5
[M]+	270.13965	165.6
[M]-	270.14075	165.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.