CID 5283455

Alpha-methyl anandamide

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCO
InChI
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-
InChIKey
POPPPMLPRVFFPI-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-2-methylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.29807 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 200.3
[M+Na]+ 384.28729 200.5
[M-H]- 360.29079 196.3
[M+NH4]+ 379.33189 212.0
[M+K]+ 400.26123 193.8
[M+H-H2O]+ 344.29533 192.9
[M+HCOO]- 406.29627 217.5
[M+CH3COO]- 420.31192 218.5
[M+Na-2H]- 382.27274 195.7
[M]+ 361.29752 202.9
[M]- 361.29862 202.9
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.