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]+ 397.164576 194.2
[M+Na]+ 419.146518 199.5
[M-H]- 395.150024 197.7
[M+NH4]+ 414.191123 203.7
[M+K]+ 435.120458 194.7
[M+H-H2O]+ 379.154560 185.6
[M+HCOO]- 441.155501 212.3
[M+CH3COO]- 455.171151 218.7
[M+Na-2H]- 417.131966 191.6
[M]+ 396.15675142 198.6
[M]- 396.15784858 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.