CID 4658328

757221-64-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃S

SMILES

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

InChI

InChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)12-9-10(13)7-8-11(12)17-6-3/h7-9H,4-6,13H2,1-3H3

InChIKey

PGMYHXHFBXZAAU-UHFFFAOYSA-N

Compound name

5-amino-2-ethoxy-N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.11948 Da
Monoisotopic Mass: 2.1
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]+	273.126756	160.9
[M+Na]+	295.108698	167.7
[M-H]-	271.112204	165.5
[M+NH4]+	290.153303	177.7
[M+K]+	311.082638	165.6
[M+H-H2O]+	255.116740	153.8
[M+HCOO]-	317.117681	180.2
[M+CH3COO]-	331.133331	204.0
[M+Na-2H]-	293.094146	163.0
[M]+	272.11893142	165.7
[M]-	272.12002858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe