CID 19105

Embramine

Structural Information

Molecular Formula

C₁₈H₂₂BrNO

SMILES

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

InChI

InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

InChIKey

URSRSKSNFPUKGH-UHFFFAOYSA-N

Compound name

2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 31
References: 1636
Patents: 347.08847 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]+	348.095746	177.4
[M+Na]+	370.077688	185.6
[M-H]-	346.081194	187.0
[M+NH4]+	365.122293	194.5
[M+K]+	386.051628	174.6
[M+H-H2O]+	330.085730	175.2
[M+HCOO]-	392.086671	197.8
[M+CH3COO]-	406.102321	214.1
[M+Na-2H]-	368.063136	183.3
[M]+	347.08792142	198.0
[M]-	347.08901858	198.0

Literature stripe

literature stripe

Patent stripe

patents stripe