CID 756926

2-(3,4-dimethoxy benzylidene)-1-tetralone

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H18O3/c1-21-17-10-7-13(12-18(17)22-2)11-15-9-8-14-5-3-4-6-16(14)19(15)20/h3-7,10-12H,8-9H2,1-2H3/b15-11+
InChIKey
GAWLBBIQPOSEMR-RVDMUPIBSA-N
Compound name
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
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

literature stripe

Patent stripe

patents stripe