CID 3025328

2'-ethyl-2-(2-methoxybutylamino)-propionanilide

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₂

SMILES

CCC1=CC=CC=C1NC(=O)C(C)NCC(CC)OC

InChI

InChI=1S/C16H26N2O2/c1-5-13-9-7-8-10-15(13)18-16(19)12(3)17-11-14(6-2)20-4/h7-10,12,14,17H,5-6,11H2,1-4H3,(H,18,19)

InChIKey

QYSXRCBRAZEXKP-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)-2-(2-methoxybutylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.19943 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]+	279.206706	170.7
[M+Na]+	301.188648	173.7
[M-H]-	277.192154	173.4
[M+NH4]+	296.233253	186.0
[M+K]+	317.162588	172.1
[M+H-H2O]+	261.196690	163.0
[M+HCOO]-	323.197631	192.6
[M+CH3COO]-	337.213281	208.6
[M+Na-2H]-	299.174096	171.2
[M]+	278.19888142	172.2
[M]-	278.19997858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.