CID 171120402

Juniperoyl ethanolamide

Structural Information

Molecular Formula
C22H37NO2
SMILES
CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,15-16,24H,2,5,8,11-14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,16-15-
InChIKey
ZJAZJFFAMYVENT-OUJQXAOTSA-N
Compound name
(5Z,11Z,14Z,17Z)-N-(2-hydroxyethyl)icosa-5,11,14,17-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.28244 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.28972 194.9
[M+Na]+ 370.27166 195.7
[M-H]- 346.27516 191.0
[M+NH4]+ 365.31626 207.3
[M+K]+ 386.24560 188.8
[M+H-H2O]+ 330.27970 187.5
[M+HCOO]- 392.28064 213.5
[M+CH3COO]- 406.29629 214.8
[M+Na-2H]- 368.25711 192.1
[M]+ 347.28189 197.8
[M]- 347.28299 197.8
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.