CID 5283435

N-(2-phenoxy-ethyl) arachidonoyl amine

Structural Information

Molecular Formula
C28H41NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOC1=CC=CC=C1
InChI
InChI=1S/C28H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(30)29-25-26-31-27-22-19-18-20-23-27/h6-7,9-10,12-13,15-16,18-20,22-23H,2-5,8,11,14,17,21,24-26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-
InChIKey
CZKXOYAPOXVGMG-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-phenoxyethyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.31372 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.32100 214.6
[M+Na]+ 446.30294 214.4
[M-H]- 422.30644 214.6
[M+NH4]+ 441.34754 224.0
[M+K]+ 462.27688 206.2
[M+H-H2O]+ 406.31098 204.9
[M+HCOO]- 468.31192 234.2
[M+CH3COO]- 482.32757 230.6
[M+Na-2H]- 444.28839 211.7
[M]+ 423.31317 218.9
[M]- 423.31427 218.9
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

No patent data available for this compound.