CID 16759310

N-arachidonoyl-gamma-aminobutyrate

Structural Information

Molecular Formula
C24H39NO3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O
InChI
InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKey
JKUDIEXTAYKJNX-DOFZRALJSA-N
Compound name
4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

65
Patents

389.293 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30028 205.7
[M+Na]+ 412.28222 209.9
[M+NH4]+ 407.32682 208.5
[M+K]+ 428.25616 211.0
[M-H]- 388.28572 201.4
[M+Na-2H]- 410.26767 202.5
[M]+ 389.29245 204.3
[M]- 389.29355 204.3
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