CID 45049401

2-(2,3-dimethoxybenzylidene)-1-tetralone

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=CC=CC(=C1OC)/C=C\2/CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O3/c1-21-17-9-5-7-15(19(17)22-2)12-14-11-10-13-6-3-4-8-16(13)18(14)20/h3-9,12H,10-11H2,1-2H3/b14-12-
InChIKey
ZOFLFTGJLVVSTA-OWBHPGMISA-N
Compound name
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 167.4
[M+Na]+ 317.114798 175.3
[M-H]- 293.118304 174.9
[M+NH4]+ 312.159403 183.9
[M+K]+ 333.088738 170.7
[M+H-H2O]+ 277.122840 159.3
[M+HCOO]- 339.123781 187.9
[M+CH3COO]- 353.139431 204.0
[M+Na-2H]- 315.100246 171.1
[M]+ 294.12503142 168.4
[M]- 294.12612858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.