CID 146672903

Chebi:155889

Structural Information

Molecular Formula
C27H31NO4
SMILES
C/C=C\C=C\C[C@@H](C)CC/C=C(\C)/C=C/C(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C27H31NO4/c1-4-5-6-7-9-19(2)10-8-11-20(3)12-17-24(30)25-26(31)23(18-28-27(25)32)21-13-15-22(29)16-14-21/h4-7,11-19,29H,8-10H2,1-3H3,(H2,28,31,32)/b5-4-,7-6+,17-12+,20-11+/t19-/m1/s1
InChIKey
WEDGCCUNYOUPHX-BQACNKTJSA-N
Compound name
3-[(2E,4E,8S,10E,12Z)-4,8-dimethyltetradeca-2,4,10,12-tetraenoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2253 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.23258 210.3
[M+Na]+ 456.21452 220.4
[M+NH4]+ 451.25912 212.4
[M+K]+ 472.18846 213.7
[M-H]- 432.21802 209.6
[M+Na-2H]- 454.19997 211.9
[M]+ 433.22475 211.0
[M]- 433.22585 211.0
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.