CID 6444189

Glutamic acid linoleamide

Structural Information

Molecular Formula
C23H39NO5
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C23H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKey
KUOWDMBZTRBDRI-GSNKCQISSA-N
Compound name
(2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

409.28284 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.29012 206.9
[M+Na]+ 432.27206 218.1
[M+NH4]+ 427.31666 214.2
[M+K]+ 448.24600 214.4
[M-H]- 408.27556 208.1
[M+Na-2H]- 430.25751 201.9
[M]+ 409.28229 211.8
[M]- 409.28339 211.8
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