CID 14392758

16(17)-epdpe

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\CC1C(O1)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-
InChIKey
BCTXZWCPBLWCRV-ZYADFMMDSA-N
Compound name
(4Z,7Z,10Z,13Z)-15-[3-[(Z)-pent-2-enyl]oxiran-2-yl]pentadeca-4,7,10,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

344.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 188.0
[M+Na]+ 367.22436 193.1
[M-H]- 343.22786 189.9
[M+NH4]+ 362.26896 195.3
[M+K]+ 383.19830 185.8
[M+H-H2O]+ 327.23240 180.4
[M+HCOO]- 389.23334 205.5
[M+CH3COO]- 403.24899 212.7
[M+Na-2H]- 365.20981 186.4
[M]+ 344.23459 194.7
[M]- 344.23569 194.7
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