CID 124072

Tetrahydrocurcumin

Structural Information

Molecular Formula
C21H24O6
SMILES
COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C21H24O6/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/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChIKey
LBTVHXHERHESKG-UHFFFAOYSA-N
Compound name
1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

205
References

3409
Patents

372.1573 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 187.4
[M+Na]+ 395.14652 192.9
[M-H]- 371.15002 191.2
[M+NH4]+ 390.19112 198.0
[M+K]+ 411.12046 189.7
[M+H-H2O]+ 355.15456 179.0
[M+HCOO]- 417.15550 205.8
[M+CH3COO]- 431.17115 215.5
[M+Na-2H]- 393.13197 185.9
[M]+ 372.15675 192.7
[M]- 372.15785 192.7
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.