CID 5283392

Arachidonoyl-n-methyl amide

Structural Information

Molecular Formula
C21H35NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC
InChI
InChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
InChIKey
HTAWYBRCXMQDBL-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

317.27185 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.27913 187.4
[M+Na]+ 340.26107 189.2
[M-H]- 316.26457 185.3
[M+NH4]+ 335.30567 201.8
[M+K]+ 356.23501 182.9
[M+H-H2O]+ 300.26911 180.3
[M+HCOO]- 362.27005 207.6
[M+CH3COO]- 376.28570 212.4
[M+Na-2H]- 338.24652 185.6
[M]+ 317.27130 190.5
[M]- 317.27240 190.5
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