CID 9796792

Tetrahydrobisdemethoxydiferuloylmethane

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
1
Annotation Hits

3
References

316
Patents

312.13617 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 174.7
[M+Na]+ 335.12539 186.7
[M+NH4]+ 330.16999 180.7
[M+K]+ 351.09933 180.4
[M-H]- 311.12889 176.8
[M+Na-2H]- 333.11084 180.7
[M]+ 312.13562 176.8
[M]- 312.13672 176.8
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