CID 2065546

4-amino-n-propylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3

InChIKey

PEDHCXVSNZZLSR-UHFFFAOYSA-N

Compound name

4-amino-N-propylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 214.0776 Da
Monoisotopic Mass: 1.1
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]+	215.08488	144.5
[M+Na]+	237.06682	151.9
[M-H]-	213.07032	147.9
[M+NH4]+	232.11142	162.9
[M+K]+	253.04076	148.4
[M+H-H2O]+	197.07486	138.3
[M+HCOO]-	259.07580	164.2
[M+CH3COO]-	273.09145	188.2
[M+Na-2H]-	235.05227	149.2
[M]+	214.07705	145.2
[M]-	214.07815	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe