CID 6448633

2,4-pentadienoic acid, 5-(4-hydroxy-3-methoxyphenyl)-, 3,7-dimethyl-2,6-octadienyl ester

Structural Information

Molecular Formula
C22H28O4
SMILES
CC(=CCC/C(=C/COC(=O)/C=C/C=C/C1=CC(=C(C=C1)O)OC)/C)C
InChI
InChI=1S/C22H28O4/c1-17(2)8-7-9-18(3)14-15-26-22(24)11-6-5-10-19-12-13-20(23)21(16-19)25-4/h5-6,8,10-14,16,23H,7,9,15H2,1-4H3/b10-5+,11-6+,18-14+
InChIKey
GHRVGTODONIMMB-ODNSTRCESA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.19876 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.206036 189.4
[M+Na]+ 379.187978 193.5
[M-H]- 355.191484 190.4
[M+NH4]+ 374.232583 201.7
[M+K]+ 395.161918 188.4
[M+H-H2O]+ 339.196020 182.2
[M+HCOO]- 401.196961 207.0
[M+CH3COO]- 415.212611 213.3
[M+Na-2H]- 377.173426 185.3
[M]+ 356.19821142 192.9
[M]- 356.19930858 192.9
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

patents stripe