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

2210
Patents

338.11542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.122696 179.3
[M+Na]+ 361.104638 184.9
[M-H]- 337.108144 181.8
[M+NH4]+ 356.149243 190.5
[M+K]+ 377.078578 179.1
[M+H-H2O]+ 321.112680 171.7
[M+HCOO]- 383.113621 196.8
[M+CH3COO]- 397.129271 203.5
[M+Na-2H]- 359.090086 178.3
[M]+ 338.11487142 178.9
[M]- 338.11596858 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

literature stripe

Patent stripe

patents stripe