CID 20836274

Sodium oleoamphoacetate

Structural Information

Molecular Formula
C24H46N2O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C24H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30)/b10-9-
InChIKey
WZYZRBKYWZVNTR-KTKRTIGZSA-N
Compound name
2-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

355
Patents

426.34576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.35304 213.9
[M+Na]+ 449.33498 233.6
[M+NH4]+ 444.37958 228.1
[M+K]+ 465.30892 229.0
[M-H]- 425.33848 220.7
[M+Na-2H]- 447.32043 209.9
[M]+ 426.34521 225.7
[M]- 426.34631 225.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe