CID 12054543

119818-40-5

Structural Information

Molecular Formula
C24H38O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC
InChI
InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey
VCSQUSNNIFZJAP-AAQCHOMXSA-N
Compound name
ethyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

358.28717 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.294446 197.9
[M+Na]+ 381.276388 199.7
[M-H]- 357.279894 195.3
[M+NH4]+ 376.320993 211.0
[M+K]+ 397.250328 192.5
[M+H-H2O]+ 341.284430 190.7
[M+HCOO]- 403.285371 216.6
[M+CH3COO]- 417.301021 216.9
[M+Na-2H]- 379.261836 194.4
[M]+ 358.28662142 203.7
[M]- 358.28771858 203.7
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

patents stripe