CID 3039125

2'-ethyl-2-(2-methylthioethylamino)propionanilide hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂OS

SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-4-12-7-5-6-8-13(12)16-14(17)11(2)15-9-10-18-3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)

InChIKey

MAEWDLSOLOAHCD-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)-2-(2-methylsulfanylethylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1453 Da
Monoisotopic Mass: 2.3
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]+	267.152576	163.5
[M+Na]+	289.134518	167.6
[M-H]-	265.138024	166.3
[M+NH4]+	284.179123	179.9
[M+K]+	305.108458	164.1
[M+H-H2O]+	249.142560	156.0
[M+HCOO]-	311.143501	181.2
[M+CH3COO]-	325.159151	203.2
[M+Na-2H]-	287.119966	163.6
[M]+	266.14475142	165.5
[M]-	266.14584858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.