CID 5311006

Arachidonyl-2-chloroethylamide

Structural Information

Molecular Formula
C22H36ClNO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl
InChI
InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKey
SCJNCDSAIRBRIA-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

185
References

10424
Patents

365.24854 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.25582 198.8
[M+Na]+ 388.23776 201.0
[M-H]- 364.24126 196.3
[M+NH4]+ 383.28236 212.2
[M+K]+ 404.21170 192.2
[M+H-H2O]+ 348.24580 192.3
[M+HCOO]- 410.24674 214.2
[M+CH3COO]- 424.26239 219.0
[M+Na-2H]- 386.22321 196.0
[M]+ 365.24799 204.1
[M]- 365.24909 204.1
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