CID 53351

6245-50-7

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

C1=CC(=CC=C1N)OCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2

InChIKey

LAFZPVANKKJENB-UHFFFAOYSA-N

Compound name

4-[4-(4-aminophenoxy)butoxy]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1201
Patents: 272.15247 Da
Monoisotopic Mass: 2.9
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]+	273.15975	163.2
[M+Na]+	295.14169	169.0
[M-H]-	271.14519	168.7
[M+NH4]+	290.18629	178.3
[M+K]+	311.11563	165.0
[M+H-H2O]+	255.14973	154.7
[M+HCOO]-	317.15067	188.2
[M+CH3COO]-	331.16632	203.1
[M+Na-2H]-	293.12714	167.5
[M]+	272.15192	163.2
[M]-	272.15302	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe