CID 58186

Acetamide, n-(5-(p-aminophenoxy)pentyl)-2-cyano-

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

C1=CC(=CC=C1N)OCCCCCNC(=O)CC#N

InChI

InChI=1S/C14H19N3O2/c15-9-8-14(18)17-10-2-1-3-11-19-13-6-4-12(16)5-7-13/h4-7H,1-3,8,10-11,16H2,(H,17,18)

InChIKey

FTQZWXKZHXMWQM-UHFFFAOYSA-N

Compound name

N-[5-(4-aminophenoxy)pentyl]-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 1.5
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]+	262.155016	162.8
[M+Na]+	284.136958	169.2
[M-H]-	260.140464	164.6
[M+NH4]+	279.181563	176.7
[M+K]+	300.110898	166.1
[M+H-H2O]+	244.145000	148.8
[M+HCOO]-	306.145941	182.8
[M+CH3COO]-	320.161591	211.7
[M+Na-2H]-	282.122406	165.4
[M]+	261.14719142	158.3
[M]-	261.14828858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.