CID 52921895

5s,6-ep-18s-hepe

Structural Information

Molecular Formula
C20H28O4
SMILES
CC[C@@H](/C=C/C=C\C/C=C\C=C\C=C\[C@@H]1[C@@H](O1)CCCC(=O)O)O
InChI
InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1
InChIKey
ZPAJZAMPZXISSE-RXTGXWMYSA-N
Compound name
4-[(2S,3R)-3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxytetradeca-1,3,5,8,10-pentaenyl]oxiran-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

332.19876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 180.4
[M+Na]+ 355.18798 188.4
[M+NH4]+ 350.23258 184.0
[M+K]+ 371.16192 184.4
[M-H]- 331.19148 185.4
[M+Na-2H]- 353.17343 181.3
[M]+ 332.19821 183.4
[M]- 332.19931 183.4
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.