CID 5281767

(1e,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)O)OC)/O)O
InChI
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
InChIKey
ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Compound name
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

294
References

1043
Patents

368.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.9
[M+Na]+ 391.11520 191.8
[M-H]- 367.11870 188.5
[M+NH4]+ 386.15980 196.0
[M+K]+ 407.08914 186.6
[M+H-H2O]+ 351.12324 178.0
[M+HCOO]- 413.12418 203.2
[M+CH3COO]- 427.13983 210.1
[M+Na-2H]- 389.10065 183.9
[M]+ 368.12543 187.7
[M]- 368.12653 187.7
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.