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
1
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]+ 367.154006 187.6
[M+Na]+ 389.135948 192.7
[M-H]- 365.139454 191.0
[M+NH4]+ 384.180553 198.3
[M+K]+ 405.109888 187.2
[M+H-H2O]+ 349.143990 179.3
[M+HCOO]- 411.144931 206.0
[M+CH3COO]- 425.160581 212.3
[M+Na-2H]- 387.121396 186.1
[M]+ 366.14618142 189.8
[M]- 366.14727858 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.