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 187.6
[M+Na]+ 389.13595 192.7
[M-H]- 365.13945 191.0
[M+NH4]+ 384.18055 198.3
[M+K]+ 405.10989 187.2
[M+H-H2O]+ 349.14399 179.3
[M+HCOO]- 411.14493 206.0
[M+CH3COO]- 425.16058 212.3
[M+Na-2H]- 387.12140 186.1
[M]+ 366.14618 189.8
[M]- 366.14728 189.8
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.