CID 593572

4-amino-n-ethylbenzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3

InChIKey

FDZPXCJOUIWRII-UHFFFAOYSA-N

Compound name

4-amino-N-ethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 200.06195 Da
Monoisotopic Mass: 0.6
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]+	201.06923	141.6
[M+Na]+	223.05117	151.4
[M+NH4]+	218.09577	149.1
[M+K]+	239.02511	144.8
[M-H]-	199.05467	143.3
[M+Na-2H]-	221.03662	147.1
[M]+	200.06140	143.7
[M]-	200.06250	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe