CID 3055347

2-(4-dimethylaminobutoxy)-2'-chlorobibenzyl hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₆ClNO

SMILES

CN(C)CCCCOC1=CC=CC=C1CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H26ClNO/c1-22(2)15-7-8-16-23-20-12-6-4-10-18(20)14-13-17-9-3-5-11-19(17)21/h3-6,9-12H,7-8,13-16H2,1-2H3

InChIKey

JXIMJKXKBNIAAG-UHFFFAOYSA-N

Compound name

4-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 331.1703 Da
Monoisotopic Mass: 5.5
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]+	332.177576	181.8
[M+Na]+	354.159518	187.7
[M-H]-	330.163024	188.8
[M+NH4]+	349.204123	196.9
[M+K]+	370.133458	182.3
[M+H-H2O]+	314.167560	173.5
[M+HCOO]-	376.168501	201.2
[M+CH3COO]-	390.184151	216.1
[M+Na-2H]-	352.144966	184.1
[M]+	331.16975142	187.9
[M]-	331.17084858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe