CID 3087837

St 571

Structural Information

Molecular Formula

C₂₄H₃₃NO₃

SMILES

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

InChI

InChI=1S/C24H33NO3/c1-5-12-25(16-22(26)18-8-6-17(2)7-9-18)21-11-10-19-14-23(27-3)24(28-4)15-20(19)13-21/h6-9,14-15,21-22,26H,5,10-13,16H2,1-4H3

InChIKey

YUNZNZVJQCKDMN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 383.24603 Da
Monoisotopic Mass: 4.7
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]+	384.253306	196.5
[M+Na]+	406.235248	199.7
[M-H]-	382.238754	202.6
[M+NH4]+	401.279853	208.7
[M+K]+	422.209188	196.4
[M+H-H2O]+	366.243290	187.1
[M+HCOO]-	428.244231	213.6
[M+CH3COO]-	442.259881	227.7
[M+Na-2H]-	404.220696	195.5
[M]+	383.24548142	198.6
[M]-	383.24657858	198.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.