CID 9796792

Tetrahydrobisdemethoxycurcumin

Structural Information

Molecular Formula
C19H20O4
SMILES
C1=CC(=CC=C1CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2
InChIKey
KTRRXJQAOOYSDA-UHFFFAOYSA-N
Compound name
1,7-bis(4-hydroxyphenyl)heptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

290
Patents

312.13617 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.143446 173.8
[M+Na]+ 335.125388 178.8
[M-H]- 311.128894 177.3
[M+NH4]+ 330.169993 186.5
[M+K]+ 351.099328 174.3
[M+H-H2O]+ 295.133430 166.0
[M+HCOO]- 357.134371 192.6
[M+CH3COO]- 371.150021 202.7
[M+Na-2H]- 333.110836 174.4
[M]+ 312.13562142 174.7
[M]- 312.13671858 174.7
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