CID 9904238

A-75169

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CN(CCC1=CC=CC=C1)CC2CCCC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H25NO/c1-21(13-12-16-6-3-2-4-7-16)15-18-9-5-8-17-14-19(22)10-11-20(17)18/h2-4,6-7,10-11,14,18,22H,5,8-9,12-13,15H2,1H3

InChIKey

FIRFZYNEZAFKPJ-UHFFFAOYSA-N

Compound name

5-[[methyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 295.1936 Da
Monoisotopic Mass: 4.5
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]+	296.200876	171.4
[M+Na]+	318.182818	175.3
[M-H]-	294.186324	177.7
[M+NH4]+	313.227423	187.0
[M+K]+	334.156758	170.7
[M+H-H2O]+	278.190860	162.7
[M+HCOO]-	340.191801	190.8
[M+CH3COO]-	354.207451	208.3
[M+Na-2H]-	316.168266	175.1
[M]+	295.19305142	169.1
[M]-	295.19414858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe