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]+ 295.13286 167.4
[M+Na]+ 317.11480 175.3
[M-H]- 293.11830 174.9
[M+NH4]+ 312.15940 183.9
[M+K]+ 333.08874 170.7
[M+H-H2O]+ 277.12284 159.3
[M+HCOO]- 339.12378 187.9
[M+CH3COO]- 353.13943 204.0
[M+Na-2H]- 315.10025 171.1
[M]+ 294.12503 168.4
[M]- 294.12613 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.