CID 3039537

2'-ethyl-2-(2-methylsulfinylethylamino)propionanilide sulfate

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂S

SMILES

CCC1=CC=CC=C1NC(=O)C(C)NCCS(=O)C

InChI

InChI=1S/C14H22N2O2S/c1-4-12-7-5-6-8-13(12)16-14(17)11(2)15-9-10-19(3)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)

InChIKey

FENFLYQXPUSRPR-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1402 Da
Monoisotopic Mass: 0.7
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]+	283.147476	166.8
[M+Na]+	305.129418	170.7
[M-H]-	281.132924	169.6
[M+NH4]+	300.174023	182.3
[M+K]+	321.103358	167.6
[M+H-H2O]+	265.137460	159.2
[M+HCOO]-	327.138401	183.8
[M+CH3COO]-	341.154051	205.4
[M+Na-2H]-	303.114866	165.9
[M]+	282.13965142	168.8
[M]-	282.14074858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.