CID 5324476

Refchem:1049389

Structural Information

Molecular Formula
C20H18O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=C/C(=O)/C=C/C2=CC=C(C=C2)O)/O)O
InChI
InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13-
InChIKey
UEPVWRDHSPMIAZ-IZTHOABVSA-N
Compound name
(1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

2204
Patents

338.11542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 179.3
[M+Na]+ 361.10464 184.9
[M-H]- 337.10814 181.8
[M+NH4]+ 356.14924 190.5
[M+K]+ 377.07858 179.1
[M+H-H2O]+ 321.11268 171.7
[M+HCOO]- 383.11362 196.8
[M+CH3COO]- 397.12927 203.5
[M+Na-2H]- 359.09009 178.3
[M]+ 338.11487 178.9
[M]- 338.11597 178.9
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.