CID 131752691

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

Structural Information

Molecular Formula
C23H24O6
SMILES
COC1=C(C=CC(=C1)C/C=C/C(=O)CC(=O)/C=C\CC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C23H24O6/c1-28-22-13-16(9-11-20(22)26)5-3-7-18(24)15-19(25)8-4-6-17-10-12-21(27)23(14-17)29-2/h3-4,7-14,26-27H,5-6,15H2,1-2H3/b7-3-,8-4+
InChIKey
COTOOGZUELSHJZ-KYPMKJFLSA-N
Compound name
(2Z,7E)-1,9-bis(4-hydroxy-3-methoxyphenyl)nona-2,7-diene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.2
[M+Na]+ 419.14652 199.5
[M-H]- 395.15002 197.7
[M+NH4]+ 414.19112 203.7
[M+K]+ 435.12046 194.7
[M+H-H2O]+ 379.15456 185.6
[M+HCOO]- 441.15550 212.3
[M+CH3COO]- 455.17115 218.7
[M+Na-2H]- 417.13197 191.6
[M]+ 396.15675 198.6
[M]- 396.15785 198.6
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.