CID 14378

1149-41-3

Structural Information

Molecular Formula

C₁₆H₁₈BrN

SMILES

C1=CC=C(C=C1)CN(CCBr)CC2=CC=CC=C2

InChI

InChI=1S/C16H18BrN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

GOHOPIQYQWZUTC-UHFFFAOYSA-N

Compound name

N,N-dibenzyl-2-bromoethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 303.06226 Da
Monoisotopic Mass: 4.0
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]+	304.06954	164.8
[M+Na]+	326.05148	172.7
[M-H]-	302.05498	174.1
[M+NH4]+	321.09608	183.3
[M+K]+	342.02542	161.1
[M+H-H2O]+	286.05952	162.7
[M+HCOO]-	348.06046	187.2
[M+CH3COO]-	362.07611	205.3
[M+Na-2H]-	324.03693	171.9
[M]+	303.06171	183.5
[M]-	303.06281	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe