CID 168313107

(+/-)17(18)-epete-ethanolamide

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCC1C(O1)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C22H35NO3/c1-2-20-21(26-20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(25)23-18-19-24/h3,5-6,8-9,11-12,14,20-21,24H,2,4,7,10,13,15-19H2,1H3,(H,23,25)/b5-3-,8-6-,11-9-,14-12-
InChIKey
PVTVBNICUOQEDT-JPURVOHMSA-N
Compound name
(5Z,8Z,11Z,14Z)-16-(3-ethyloxiran-2-yl)-N-(2-hydroxyethyl)hexadeca-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26898 192.4
[M+Na]+ 384.25092 196.3
[M-H]- 360.25442 194.2
[M+NH4]+ 379.29552 198.8
[M+K]+ 400.22486 189.3
[M+H-H2O]+ 344.25896 184.4
[M+HCOO]- 406.25990 210.7
[M+CH3COO]- 420.27555 218.3
[M+Na-2H]- 382.23637 191.1
[M]+ 361.26115 199.0
[M]- 361.26225 199.0
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

No patent data available for this compound.