CID 6474889

Chembl419981

Structural Information

Molecular Formula
C19H16O6
SMILES
C\1OC/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)/C1=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H16O6/c20-15-3-1-11(7-17(15)22)5-13-9-25-10-14(19(13)24)6-12-2-4-16(21)18(23)8-12/h1-8,20-23H,9-10H2/b13-5+,14-6+
InChIKey
WJXMHIODWHBGHP-ACFHMISVSA-N
Compound name
(3E,5E)-3,5-bis[(3,4-dihydroxyphenyl)methylidene]oxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

340.0947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 178.2
[M+Na]+ 363.08392 185.0
[M-H]- 339.08742 183.8
[M+NH4]+ 358.12852 187.5
[M+K]+ 379.05786 180.1
[M+H-H2O]+ 323.09196 170.2
[M+HCOO]- 385.09290 192.5
[M+CH3COO]- 399.10855 202.2
[M+Na-2H]- 361.06937 178.1
[M]+ 340.09415 174.3
[M]- 340.09525 174.3
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.