CID 1798952

2-(3,4,5-trimethoxybenzylidene)-1-tetralone

Structural Information

Molecular Formula
C20H20O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H20O4/c1-22-17-11-13(12-18(23-2)20(17)24-3)10-15-9-8-14-6-4-5-7-16(14)19(15)21/h4-7,10-12H,8-9H2,1-3H3/b15-10-
InChIKey
LTUKXOIWJPFEFJ-GDNBJRDFSA-N
Compound name
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.143446 174.9
[M+Na]+ 347.125388 183.0
[M-H]- 323.128894 182.5
[M+NH4]+ 342.169993 190.4
[M+K]+ 363.099328 179.0
[M+H-H2O]+ 307.133430 166.5
[M+HCOO]- 369.134371 195.2
[M+CH3COO]- 383.150021 210.3
[M+Na-2H]- 345.110836 177.5
[M]+ 324.13562142 178.0
[M]- 324.13671858 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.