CID 3087843

116680-71-8

Structural Information

Molecular Formula

C₂₃H₃₁NO₃

SMILES

CCN(CC(C1=CC=C(C=C1)C)O)C2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C23H31NO3/c1-5-24(15-21(25)17-8-6-16(2)7-9-17)20-11-10-18-13-22(26-3)23(27-4)14-19(18)12-20/h6-9,13-14,20-21,25H,5,10-12,15H2,1-4H3

InChIKey

FOEHZKWFLQNJLA-UHFFFAOYSA-N

Compound name

2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 369.2304 Da
Monoisotopic Mass: 4.2
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]+	370.237676	191.9
[M+Na]+	392.219618	195.5
[M-H]-	368.223124	198.3
[M+NH4]+	387.264223	204.7
[M+K]+	408.193558	192.5
[M+H-H2O]+	352.227660	182.7
[M+HCOO]-	414.228601	209.4
[M+CH3COO]-	428.244251	224.8
[M+Na-2H]-	390.205066	191.5
[M]+	369.22985142	193.7
[M]-	369.23094858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.