CID 58891

Aniline, p-(5-(p-tolyloxy)pentyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CC1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C18H23NO2/c1-15-5-9-17(10-6-15)20-13-3-2-4-14-21-18-11-7-16(19)8-12-18/h5-12H,2-4,13-14,19H2,1H3

InChIKey

CDIOGLHHWUNZDY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 285.17288 Da
Monoisotopic Mass: 4.3
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]+	286.180156	169.0
[M+Na]+	308.162098	174.7
[M-H]-	284.165604	174.6
[M+NH4]+	303.206703	184.1
[M+K]+	324.136038	170.6
[M+H-H2O]+	268.170140	160.4
[M+HCOO]-	330.171081	192.8
[M+CH3COO]-	344.186731	204.6
[M+Na-2H]-	306.147546	172.7
[M]+	285.17233142	171.3
[M]-	285.17342858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe