CID 5283394

N-propyl arachidonoyl amine

Structural Information

Molecular Formula
C23H39NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC
InChI
InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKey
YLFLZSQBPHMIBS-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-propylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

345.30316 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.31044 196.1
[M+Na]+ 368.29238 197.1
[M-H]- 344.29588 193.6
[M+NH4]+ 363.33698 209.4
[M+K]+ 384.26632 190.3
[M+H-H2O]+ 328.30042 188.6
[M+HCOO]- 390.30136 215.7
[M+CH3COO]- 404.31701 218.4
[M+Na-2H]- 366.27783 193.3
[M]+ 345.30261 200.0
[M]- 345.30371 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

literature stripe

Patent stripe

patents stripe