CID 36624

Ethylamine, 2-((o-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₂ClNO

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)OCCN(C)C

InChI

InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-9-5-4-6-10-15)16-11-7-8-12-17(16)19/h4-12H,13-14H2,1-3H3

InChIKey

DOQNYOTUIWKKRC-UHFFFAOYSA-N

Compound name

2-[1-(2-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.13898 Da
Monoisotopic Mass: 4.1
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]+	304.146256	172.6
[M+Na]+	326.128198	178.9
[M-H]-	302.131704	180.0
[M+NH4]+	321.172803	188.7
[M+K]+	342.102138	174.4
[M+H-H2O]+	286.136240	165.0
[M+HCOO]-	348.137181	191.1
[M+CH3COO]-	362.152831	209.5
[M+Na-2H]-	324.113646	177.5
[M]+	303.13843142	177.2
[M]-	303.13952858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.