CID 71812

Clofenetamine

Structural Information

Molecular Formula

C₂₀H₂₆ClNO

SMILES

CCN(CC)CCOC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H26ClNO/c1-4-22(5-2)15-16-23-20(3,17-9-7-6-8-10-17)18-11-13-19(21)14-12-18/h6-14H,4-5,15-16H2,1-3H3

InChIKey

IKFQEQVEOQNTRJ-UHFFFAOYSA-N

Compound name

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 51
Patents: 331.1703 Da
Monoisotopic Mass: 4.9
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]+	332.177576	181.9
[M+Na]+	354.159518	187.4
[M-H]-	330.163024	188.9
[M+NH4]+	349.204123	196.9
[M+K]+	370.133458	182.4
[M+H-H2O]+	314.167560	173.9
[M+HCOO]-	376.168501	199.8
[M+CH3COO]-	390.184151	215.4
[M+Na-2H]-	352.144966	185.7
[M]+	331.16975142	187.2
[M]-	331.17084858	187.2

Literature stripe

literature stripe

Patent stripe

patents stripe