CID 3773327

731802-22-5

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₃S

SMILES

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

InChI

InChI=1S/C13H22N2O3S/c1-5-15(6-2)19(16,17)11-7-8-13(12(14)9-11)18-10(3)4/h7-10H,5-6,14H2,1-4H3

InChIKey

ACANRLKAGWEVIJ-UHFFFAOYSA-N

Compound name

3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 286.1351 Da
Monoisotopic Mass: 2.5
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]+	287.142376	165.3
[M+Na]+	309.124318	171.3
[M-H]-	285.127824	169.7
[M+NH4]+	304.168923	181.4
[M+K]+	325.098258	169.5
[M+H-H2O]+	269.132360	158.1
[M+HCOO]-	331.133301	183.2
[M+CH3COO]-	345.148951	207.9
[M+Na-2H]-	307.109766	165.8
[M]+	286.13455142	169.9
[M]-	286.13564858	169.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.