CID 969516

Curcumin

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChIKey
VFLDPWHFBUODDF-FCXRPNKRSA-N
Compound name
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

19264
References

125982
Patents

368.12598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.1
[M+Na]+ 391.11520 191.3
[M-H]- 367.11870 189.1
[M+NH4]+ 386.15980 195.9
[M+K]+ 407.08914 187.0
[M+H-H2O]+ 351.12324 176.9
[M+HCOO]- 413.12418 204.0
[M+CH3COO]- 427.13983 212.9
[M+Na-2H]- 389.10065 183.6
[M]+ 368.12543 188.9
[M]- 368.12653 188.9
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.