CID 9906039

Tetrahydrodemethoxydiferuloylmethane

Structural Information

Molecular Formula
C20H22O5
SMILES
COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H22O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,21,24H,4-5,9-10,13H2,1H3
InChIKey
HJFYFYWETUVIHT-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

375
Patents

342.14673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 180.7
[M+Na]+ 365.13595 186.0
[M-H]- 341.13945 184.4
[M+NH4]+ 360.18055 192.4
[M+K]+ 381.10989 182.1
[M+H-H2O]+ 325.14399 172.6
[M+HCOO]- 387.14493 199.3
[M+CH3COO]- 401.16058 209.1
[M+Na-2H]- 363.12140 180.2
[M]+ 342.14618 183.8
[M]- 342.14728 183.8
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