CID 735644

74816-29-8

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂O

SMILES

CCN(CC)CC(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)

InChIKey

XPYYSODZGKVELO-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-2-(diethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 284.05243 Da
Monoisotopic Mass: 2.6
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]+	285.05971	158.5
[M+Na]+	307.04165	166.9
[M-H]-	283.04515	165.4
[M+NH4]+	302.08625	177.9
[M+K]+	323.01559	156.3
[M+H-H2O]+	267.04969	156.3
[M+HCOO]-	329.05063	181.1
[M+CH3COO]-	343.06628	205.0
[M+Na-2H]-	305.02710	163.6
[M]+	284.05188	177.8
[M]-	284.05298	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.