CID 44256595

15-hete-ea

Structural Information

Molecular Formula
C22H37NO3
SMILES
CCCCCC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)O
InChI
InChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+
InChIKey
XZQKRCUYLKDPEK-USWFWKISSA-N
Compound name
(5Z,8Z,11Z,13E)-15-hydroxy-N-(2-hydroxyethyl)icosa-5,8,11,13-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.27734 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.28462 198.8
[M+Na]+ 386.26656 198.8
[M-H]- 362.27006 193.5
[M+NH4]+ 381.31116 209.6
[M+K]+ 402.24050 192.1
[M+H-H2O]+ 346.27460 191.4
[M+HCOO]- 408.27554 215.0
[M+CH3COO]- 422.29119 215.1
[M+Na-2H]- 384.25201 194.3
[M]+ 363.27679 200.5
[M]- 363.27789 200.5
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.