CID 5469424

Demethoxycurcumin

Structural Information

Molecular Formula
C20H18O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)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/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
InChIKey
HJTVQHVGMGKONQ-LUZURFALSA-N
Compound name
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

211
References

2572
Patents

338.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.122696 178.5
[M+Na]+ 361.104638 184.6
[M-H]- 337.108144 182.4
[M+NH4]+ 356.149243 190.4
[M+K]+ 377.078578 179.5
[M+H-H2O]+ 321.112680 170.6
[M+HCOO]- 383.113621 197.6
[M+CH3COO]- 397.129271 206.3
[M+Na-2H]- 359.090086 178.1
[M]+ 338.11487142 180.1
[M]- 338.11596858 180.1
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