CID 14173

2391-56-2

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

C1=CC(=CC=C1N)OCCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2

InChIKey

SLHXQWDUYXSTPA-UHFFFAOYSA-N

Compound name

4-[5-(4-aminophenoxy)pentoxy]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1778
Patents: 286.16812 Da
Monoisotopic Mass: 3.3
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]+	287.175396	167.7
[M+Na]+	309.157338	173.0
[M-H]-	285.160844	173.0
[M+NH4]+	304.201943	182.2
[M+K]+	325.131278	168.7
[M+H-H2O]+	269.165380	159.0
[M+HCOO]-	331.166321	192.3
[M+CH3COO]-	345.181971	206.1
[M+Na-2H]-	307.142786	171.5
[M]+	286.16757142	168.0
[M]-	286.16866858	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe