CID 15959101

Chembl303459

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C18H16O5/c1-20-15-9-11(10-16(21-2)17(15)22-3)8-14-12-6-4-5-7-13(12)18(19)23-14/h4-10H,1-3H3/b14-8-
InChIKey
GITAAAKDURRRPS-ZSOIEALJSA-N
Compound name
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.1
[M+Na]+ 335.08898 179.2
[M-H]- 311.09248 178.4
[M+NH4]+ 330.13358 185.9
[M+K]+ 351.06292 176.9
[M+H-H2O]+ 295.09702 162.4
[M+HCOO]- 357.09796 191.8
[M+CH3COO]- 371.11361 206.1
[M+Na-2H]- 333.07443 172.2
[M]+ 312.09921 176.1
[M]- 312.10031 176.1
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.