CID 6913738

Monosodium n-oleoyl-l-glutamate

Structural Information

Molecular Formula
C23H41NO5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C23H41NO5/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/h9-10,20H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b10-9-/t20-/m0/s1
InChIKey
UUFVSGRELDGPGL-QJRAZLAKSA-N
Compound name
(2S)-2-[[(Z)-octadec-9-enoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

170
Patents

411.29846 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.30574 207.7
[M+Na]+ 434.28768 220.4
[M+NH4]+ 429.33228 217.1
[M+K]+ 450.26162 216.8
[M-H]- 410.29118 210.2
[M+Na-2H]- 432.27313 202.8
[M]+ 411.29791 214.3
[M]- 411.29901 214.3
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