CID 5467476

Chembl129148

Structural Information

Molecular Formula
C20H18O5
SMILES
C1C/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C1
InChI
InChI=1S/C20H18O5/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11,21-24H,1-3H2/b14-8+,15-9+
InChIKey
JZODVJPLOFJTJZ-VOMDNODZSA-N
Compound name
(2E,6E)-2,6-bis[(3,4-dihydroxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

338.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.6
[M+Na]+ 361.10464 185.0
[M-H]- 337.10814 183.3
[M+NH4]+ 356.14924 189.4
[M+K]+ 377.07858 178.2
[M+H-H2O]+ 321.11268 170.9
[M+HCOO]- 383.11362 193.4
[M+CH3COO]- 397.12927 202.5
[M+Na-2H]- 359.09009 177.2
[M]+ 338.11487 173.0
[M]- 338.11597 173.0
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.