CID 3087839

St 579

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=CC=C3)O)OC

InChI

InChI=1S/C20H25NO3/c1-23-19-11-15-8-9-17(10-16(15)12-20(19)24-2)21-13-18(22)14-6-4-3-5-7-14/h3-7,11-12,17-18,21-22H,8-10,13H2,1-2H3

InChIKey

RHVQQJAVXBUPLP-UHFFFAOYSA-N

Compound name

2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 327.18344 Da
Monoisotopic Mass: 3.0
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]+	328.190716	177.6
[M+Na]+	350.172658	181.7
[M-H]-	326.176164	182.9
[M+NH4]+	345.217263	191.3
[M+K]+	366.146598	177.7
[M+H-H2O]+	310.180700	169.0
[M+HCOO]-	372.181641	195.8
[M+CH3COO]-	386.197291	211.4
[M+Na-2H]-	348.158106	180.4
[M]+	327.18289142	176.9
[M]-	327.18398858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe