CID 5283409

N,n-diethyl arachidonoyl amine

Structural Information

Molecular Formula
C24H41NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CC)CC
InChI
InChI=1S/C24H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-23H2,1-3H3/b11-10-,14-13-,17-16-,20-19-
InChIKey
FJSSHRJDGBNCDH-AILJCPQKSA-N
Compound name
(5Z,8Z,11Z,14Z)-N,N-diethylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

359.31882 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.32610 201.1
[M+Na]+ 382.30804 201.9
[M-H]- 358.31154 199.9
[M+NH4]+ 377.35264 214.5
[M+K]+ 398.28198 196.2
[M+H-H2O]+ 342.31608 193.3
[M+HCOO]- 404.31702 220.8
[M+CH3COO]- 418.33267 224.7
[M+Na-2H]- 380.29349 197.0
[M]+ 359.31827 206.7
[M]- 359.31937 206.7
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