CID 5283447

Anandamide (20:3, n-3)

Structural Information

Molecular Formula
C22H39NO2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C22H39NO2/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/h3-4,6-7,9-10,24H,2,5,8,11-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-
InChIKey
IGERBKTWMBMXMC-PDBXOOCHSA-N
Compound name
(11Z,14Z,17Z)-N-(2-hydroxyethyl)icosa-11,14,17-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.29807 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.30535 196.3
[M+Na]+ 372.28729 196.7
[M-H]- 348.29079 192.3
[M+NH4]+ 367.33189 208.6
[M+K]+ 388.26123 190.4
[M+H-H2O]+ 332.29533 188.8
[M+HCOO]- 394.29627 214.6
[M+CH3COO]- 408.31192 216.2
[M+Na-2H]- 370.27274 193.5
[M]+ 349.29752 200.0
[M]- 349.29862 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.