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

7
References

199
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 186.7
[M+Na]+ 391.11520 201.1
[M+NH4]+ 386.15980 192.4
[M+K]+ 407.08914 194.7
[M-H]- 367.11870 192.3
[M+Na-2H]- 389.10065 193.0
[M]+ 368.12543 190.3
[M]- 368.12653 190.3
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