CID 129909182

Chembl4072951

Structural Information

Molecular Formula
C29H40O4
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC(=O)/C=C/C1=CC(=C(C=C1)O)O)/C)/C)/C)C
InChI
InChI=1S/C29H40O4/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)19-20-33-29(32)18-16-26-15-17-27(30)28(31)21-26/h9,11,13,15-19,21,30-31H,6-8,10,12,14,20H2,1-5H3/b18-16+,23-11+,24-13+,25-19+
InChIKey
BAEZZKDBSLJAQO-DKBBLFARSA-N
Compound name
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.29266 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.29994 219.0
[M+Na]+ 475.28188 219.6
[M-H]- 451.28538 217.4
[M+NH4]+ 470.32648 226.5
[M+K]+ 491.25582 212.6
[M+H-H2O]+ 435.28992 211.4
[M+HCOO]- 497.29086 231.0
[M+CH3COO]- 511.30651 232.0
[M+Na-2H]- 473.26733 208.6
[M]+ 452.29211 221.1
[M]- 452.29321 221.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.