CID 5185189

763130-01-4

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

COC1=CC(=C(C=C1)CNC2=CC=C(C=C2)C3CCCCC3)O

InChI

InChI=1S/C20H25NO2/c1-23-19-12-9-17(20(22)13-19)14-21-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15,21-22H,2-6,14H2,1H3

InChIKey

RUQFEMJLVZYEGZ-UHFFFAOYSA-N

Compound name

2-[(4-cyclohexylanilino)methyl]-5-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 311.18854 Da
Monoisotopic Mass: 5.6
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]+	312.195816	174.7
[M+Na]+	334.177758	178.2
[M-H]-	310.181264	182.0
[M+NH4]+	329.222363	187.8
[M+K]+	350.151698	173.2
[M+H-H2O]+	294.185800	165.5
[M+HCOO]-	356.186741	194.0
[M+CH3COO]-	370.202391	207.0
[M+Na-2H]-	332.163206	176.9
[M]+	311.18799142	170.3
[M]-	311.18908858	170.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.