CID 3058520

75370-39-7

Structural Information

Molecular Formula

C₂₀H₂₃NO₄

SMILES

CN(CC1=CC(=O)C(=O)C=C1)C2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H23NO4/c1-21(12-13-4-7-17(22)18(23)8-13)16-6-5-14-10-19(24-2)20(25-3)11-15(14)9-16/h4,7-8,10-11,16H,5-6,9,12H2,1-3H3

InChIKey

AGXMMYIRIWFXQR-UHFFFAOYSA-N

Compound name

4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]cyclohexa-3,5-diene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.16272 Da
Monoisotopic Mass: 2.1
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]+	342.169996	179.1
[M+Na]+	364.151938	185.2
[M-H]-	340.155444	187.5
[M+NH4]+	359.196543	193.9
[M+K]+	380.125878	182.8
[M+H-H2O]+	324.159980	170.2
[M+HCOO]-	386.160921	199.3
[M+CH3COO]-	400.176571	219.8
[M+Na-2H]-	362.137386	180.5
[M]+	341.16217142	181.4
[M]-	341.16326858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.