CID 5469426

Demethylcurcumin

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+
InChIKey
FFRFJIZJLZXEJX-YPCIICBESA-N
Compound name
(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

79
Patents

354.11035 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.1
[M+Na]+ 377.09957 187.3
[M-H]- 353.10307 183.9
[M+NH4]+ 372.14417 191.7
[M+K]+ 393.07351 182.4
[M+H-H2O]+ 337.10761 173.4
[M+HCOO]- 399.10855 198.8
[M+CH3COO]- 413.12420 207.7
[M+Na-2H]- 375.08502 179.6
[M]+ 354.10980 182.7
[M]- 354.11090 182.7
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.