CID 101480

32411-03-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN(C)C

InChI

InChI=1S/C11H18N2O2S/c1-10-4-6-11(7-5-10)16(14,15)12-8-9-13(2)3/h4-7,12H,8-9H2,1-3H3

InChIKey

ZKGWAFDTPAZEJT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 242.1089 Da
Monoisotopic Mass: 1.3
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]+	243.11618	153.3
[M+Na]+	265.09812	159.9
[M-H]-	241.10162	158.3
[M+NH4]+	260.14272	171.4
[M+K]+	281.07206	157.7
[M+H-H2O]+	225.10616	146.4
[M+HCOO]-	287.10710	173.4
[M+CH3COO]-	301.12275	198.3
[M+Na-2H]-	263.08357	157.3
[M]+	242.10835	157.0
[M]-	242.10945	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe