CID 59245

102179-55-5

Structural Information

Molecular Formula

C₁₉H₃₃NO₄

SMILES

CCCCCCCCOC1=C(C=C(C=C1)N(CCO)CCO)OC

InChI

InChI=1S/C19H33NO4/c1-3-4-5-6-7-8-15-24-18-10-9-17(16-19(18)23-2)20(11-13-21)12-14-22/h9-10,16,21-22H,3-8,11-15H2,1-2H3

InChIKey

NLVKYGHYDCFKJK-UHFFFAOYSA-N

Compound name

2-[N-(2-hydroxyethyl)-3-methoxy-4-octoxyanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.24097 Da
Monoisotopic Mass: 4.0
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]+	340.248246	185.9
[M+Na]+	362.230188	188.9
[M-H]-	338.233694	186.7
[M+NH4]+	357.274793	198.6
[M+K]+	378.204128	186.4
[M+H-H2O]+	322.238230	177.7
[M+HCOO]-	384.239171	206.4
[M+CH3COO]-	398.254821	215.0
[M+Na-2H]-	360.215636	186.0
[M]+	339.24042142	192.6
[M]-	339.24151858	192.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe