CID 69879809

Cyclocurcumin

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=O)CC(O2)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C21H20O6/c1-25-20-9-13(4-7-17(20)23)3-6-16-11-15(22)12-19(27-16)14-5-8-18(24)21(10-14)26-2/h3-11,19,23-24H,12H2,1-2H3/b6-3+
InChIKey
IZLBLUIBVMGMIY-ZZXKWVIFSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

167
Patents

368.12598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 186.0
[M+Na]+ 391.11520 193.4
[M-H]- 367.11870 194.3
[M+NH4]+ 386.15980 195.7
[M+K]+ 407.08914 190.2
[M+H-H2O]+ 351.12324 176.9
[M+HCOO]- 413.12418 203.9
[M+CH3COO]- 427.13983 213.1
[M+Na-2H]- 389.10065 186.7
[M]+ 368.12543 188.5
[M]- 368.12653 188.5
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.