CID 5137973

3-amino-n-butylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S

SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)N

InChI

InChI=1S/C10H16N2O2S/c1-2-3-7-12-15(13,14)10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3

InChIKey

WGOUCTJBESOZIL-UHFFFAOYSA-N

Compound name

3-amino-N-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 228.09325 Da
Monoisotopic Mass: 1.5
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	150.3
[M+Na]+	251.08247	159.6
[M+NH4]+	246.12707	157.4
[M+K]+	267.05641	152.6
[M-H]-	227.08597	151.9
[M+Na-2H]-	249.06792	155.3
[M]+	228.09270	152.3
[M]-	228.09380	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe