CID 213308

N-(p-chloro-alpha,alpha-dimethylphenethyl)-2-(diethylamino)propionamide hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₇ClN₂O

SMILES

CCN(CC)C(C)C(=O)NC(C)(C)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H27ClN2O/c1-6-20(7-2)13(3)16(21)19-17(4,5)12-14-8-10-15(18)11-9-14/h8-11,13H,6-7,12H2,1-5H3,(H,19,21)

InChIKey

OMGSPSUJOGDDDN-UHFFFAOYSA-N

Compound name

N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-2-(diethylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.18118 Da
Monoisotopic Mass: 3.9
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]+	311.188456	177.6
[M+Na]+	333.170398	182.1
[M-H]-	309.173904	181.9
[M+NH4]+	328.215003	193.5
[M+K]+	349.144338	178.9
[M+H-H2O]+	293.178440	171.3
[M+HCOO]-	355.179381	194.5
[M+CH3COO]-	369.195031	216.0
[M+Na-2H]-	331.155846	178.5
[M]+	310.18063142	181.7
[M]-	310.18172858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.