CID 4961701

4-ethoxy-3-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃S

SMILES

CCOC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C13H20N2O3S/c1-2-18-12-7-6-11(14)10-13(12)19(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3

InChIKey

JPIYWOZRGGDLRX-UHFFFAOYSA-N

Compound name

4-ethoxy-3-piperidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.11948 Da
Monoisotopic Mass: 1.6
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]+	285.126756	163.7
[M+Na]+	307.108698	169.4
[M-H]-	283.112204	167.9
[M+NH4]+	302.153303	177.9
[M+K]+	323.082638	165.7
[M+H-H2O]+	267.116740	156.0
[M+HCOO]-	329.117681	177.5
[M+CH3COO]-	343.133331	198.1
[M+Na-2H]-	305.094146	165.6
[M]+	284.11893142	162.4
[M]-	284.12002858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.