CID 30601

4'-bromo-2-diallylaminoacetanilide

Structural Information

Molecular Formula

C₁₄H₁₇BrN₂O

SMILES

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

InChI

InChI=1S/C14H17BrN2O/c1-3-9-17(10-4-2)11-14(18)16-13-7-5-12(15)6-8-13/h3-8H,1-2,9-11H2,(H,16,18)

InChIKey

KVVHQLBNPLIICJ-UHFFFAOYSA-N

Compound name

2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 308.05243 Da
Monoisotopic Mass: 3.1
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]+	309.059706	164.4
[M+Na]+	331.041648	172.6
[M-H]-	307.045154	171.0
[M+NH4]+	326.086253	182.7
[M+K]+	347.015588	160.3
[M+H-H2O]+	291.049690	162.0
[M+HCOO]-	353.050631	186.7
[M+CH3COO]-	367.066281	209.0
[M+Na-2H]-	329.027096	168.6
[M]+	308.05188142	183.1
[M]-	308.05297858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe