CID 2963515

10372-41-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S

SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N

InChI

InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3

InChIKey

CTBWWPIIRKWDDL-UHFFFAOYSA-N

Compound name

3-amino-N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 228.09325 Da
Monoisotopic Mass: 0.9
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]+	229.10053	149.2
[M+Na]+	251.08247	156.2
[M-H]-	227.08597	153.8
[M+NH4]+	246.12707	167.6
[M+K]+	267.05641	153.9
[M+H-H2O]+	211.09051	142.5
[M+HCOO]-	273.09145	169.0
[M+CH3COO]-	287.10710	194.6
[M+Na-2H]-	249.06792	152.6
[M]+	228.09270	151.5
[M]-	228.09380	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe