CID 58556

101582-06-3

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

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

InChI

InChI=1S/C17H21NO2/c18-15-9-11-17(12-10-15)20-14-6-2-5-13-19-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14,18H2

InChIKey

XIRZCQLTCRQNDW-UHFFFAOYSA-N

Compound name

4-(5-phenoxypentoxy)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 271.15723 Da
Monoisotopic Mass: 4.1
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]+	272.164506	164.2
[M+Na]+	294.146448	169.4
[M-H]-	270.149954	169.6
[M+NH4]+	289.191053	179.6
[M+K]+	310.120388	165.5
[M+H-H2O]+	254.154490	155.7
[M+HCOO]-	316.155431	188.4
[M+CH3COO]-	330.171081	200.5
[M+Na-2H]-	292.131896	169.2
[M]+	271.15668142	165.8
[M]-	271.15777858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe