CID 6448633

3,7-dimethyl-2,6-octadienyl 5-(4-hydroxy-3-methoxyphenyl)-2,4-pentadienoate

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]+ 357.20604 189.4
[M+Na]+ 379.18798 193.5
[M-H]- 355.19148 190.4
[M+NH4]+ 374.23258 201.7
[M+K]+ 395.16192 188.4
[M+H-H2O]+ 339.19602 182.2
[M+HCOO]- 401.19696 207.0
[M+CH3COO]- 415.21261 213.3
[M+Na-2H]- 377.17343 185.3
[M]+ 356.19821 192.9
[M]- 356.19931 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