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

19135
References

134826
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

literature stripe

Patent stripe

patents stripe