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

1
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

patents stripe