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

356
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 215.5
[M+Na]+ 449.33498 236.1
[M-H]- 425.33848 221.3
[M+NH4]+ 444.37958 226.4
[M+K]+ 465.30892 209.2
[M+H-H2O]+ 409.34302 206.7
[M+HCOO]- 471.34396 229.4
[M+CH3COO]- 485.35961 234.8
[M+Na-2H]- 447.32043 209.7
[M]+ 426.34521 221.5
[M]- 426.34631 221.5
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