CID 109157

68134-15-6

Structural Information

Molecular Formula
C25H50N2O6S
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C25H50N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33)
InChIKey
GDVGKWLZJUOVAW-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

479
Patents

506.33896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.34624 235.1
[M+Na]+ 529.32818 244.8
[M+NH4]+ 524.37278 238.4
[M+K]+ 545.30212 238.0
[M-H]- 505.33168 231.2
[M+Na-2H]- 527.31363 239.7
[M]+ 506.33841 235.6
[M]- 506.33951 235.6
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

No patent data available for this compound.