CID 5283403

N-(3-hydroxy-propyl)arachidonoylamide

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCO
InChI
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-
InChIKey
KFUGLIFIBPAGFC-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

361.29807 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 199.2
[M+Na]+ 384.28729 199.6
[M-H]- 360.29079 195.1
[M+NH4]+ 379.33189 211.0
[M+K]+ 400.26123 192.4
[M+H-H2O]+ 344.29533 191.6
[M+HCOO]- 406.29627 217.4
[M+CH3COO]- 420.31192 217.8
[M+Na-2H]- 382.27274 195.9
[M]+ 361.29752 202.5
[M]- 361.29862 202.5
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