CID 5283391

N-ethyl arachidonoyl amine

Structural Information

Molecular Formula
C22H37NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC
InChI
InChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
InChIKey
DCUXLBLUWUQKFU-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

331.2875 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.29478 191.8
[M+Na]+ 354.27672 193.1
[M-H]- 330.28022 189.4
[M+NH4]+ 349.32132 205.6
[M+K]+ 370.25066 186.6
[M+H-H2O]+ 314.28476 184.4
[M+HCOO]- 376.28570 211.7
[M+CH3COO]- 390.30135 215.4
[M+Na-2H]- 352.26217 189.5
[M]+ 331.28695 195.2
[M]- 331.28805 195.2
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