CID 215915

Brn 3001179

Structural Information

Molecular Formula

C₂₂H₃₀N₂O₂

SMILES

CCN(CC)CC(=O)NC(CC1=CC=CC=C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H30N2O2/c1-4-24(5-2)17-22(25)23-21(16-18-10-8-7-9-11-18)19-12-14-20(15-13-19)26-6-3/h7-15,21H,4-6,16-17H2,1-3H3,(H,23,25)

InChIKey

HWKNKPRKDICBOJ-UHFFFAOYSA-N

Compound name

2-(diethylamino)-N-[1-(4-ethoxyphenyl)-2-phenylethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.23074 Da
Monoisotopic Mass: 4.2
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]+	355.238016	190.8
[M+Na]+	377.219958	192.7
[M-H]-	353.223464	197.4
[M+NH4]+	372.264563	203.1
[M+K]+	393.193898	190.0
[M+H-H2O]+	337.228000	180.9
[M+HCOO]-	399.228941	213.5
[M+CH3COO]-	413.244591	224.6
[M+Na-2H]-	375.205406	191.3
[M]+	354.23019142	193.6
[M]-	354.23128858	193.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.