CID 5367369

Ethyl arachidonate

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
InChI
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKey
SNXPWYFWAZVIAU-GKFVBPDJSA-N
Compound name
ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

911
Patents

332.27155 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 191.3
[M+Na]+ 355.26077 198.7
[M+NH4]+ 350.30537 195.5
[M+K]+ 371.23471 189.3
[M-H]- 331.26427 188.8
[M+Na-2H]- 353.24622 190.4
[M]+ 332.27100 191.2
[M]- 332.27210 191.2
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

patents stripe