CID 35027640

20-hete ethanolamide

Structural Information

Molecular Formula
C22H37NO3
SMILES
C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)CCO
InChI
InChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12-10-
InChIKey
QRMZDMUHHZLRMH-DTLRTWKJSA-N
Compound name
(5Z,8Z,11Z,14Z)-20-hydroxy-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

363.27734 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.28462 197.6
[M+Na]+ 386.26656 197.8
[M-H]- 362.27006 192.2
[M+NH4]+ 381.31116 208.4
[M+K]+ 402.24050 190.6
[M+H-H2O]+ 346.27460 190.1
[M+HCOO]- 408.27554 214.8
[M+CH3COO]- 422.29119 214.3
[M+Na-2H]- 384.25201 194.4
[M]+ 363.27679 200.0
[M]- 363.27789 200.0
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