CID 131752690

(2e,7z)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione

Structural Information

Molecular Formula
C22H22O5
SMILES
COC1=C(C=CC(=C1)C/C=C/C(=O)CC(=O)/C=C\CC2=CC=C(C=C2)O)O
InChI
InChI=1S/C22H22O5/c1-27-22-14-17(10-13-21(22)26)5-3-7-20(25)15-19(24)6-2-4-16-8-11-18(23)12-9-16/h2-3,6-14,23,26H,4-5,15H2,1H3/b6-2-,7-3+
InChIKey
RGMADVSAJHLTDE-MFDSWNTHSA-N
Compound name
(2E,7Z)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.14673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 188.9
[M+Na]+ 389.13595 200.2
[M+NH4]+ 384.18055 193.2
[M+K]+ 405.10989 193.8
[M-H]- 365.13945 189.9
[M+Na-2H]- 387.12140 193.2
[M]+ 366.14618 190.4
[M]- 366.14728 190.4
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.