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]+ 325.14345 174.9
[M+Na]+ 347.12539 183.0
[M-H]- 323.12889 182.5
[M+NH4]+ 342.16999 190.4
[M+K]+ 363.09933 179.0
[M+H-H2O]+ 307.13343 166.5
[M+HCOO]- 369.13437 195.2
[M+CH3COO]- 383.15002 210.3
[M+Na-2H]- 345.11084 177.5
[M]+ 324.13562 178.0
[M]- 324.13672 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.