CID 113144

Ethanesulfonic acid, 2-(cyclohexyl(1-oxooctadecyl)amino)-, sodium salt (1:1)

Structural Information

Molecular Formula
C26H51NO4S
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C1CCCCC1
InChI
InChI=1S/C26H51NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27(23-24-32(29,30)31)25-20-17-16-18-21-25/h25H,2-24H2,1H3,(H,29,30,31)
InChIKey
MHXXFEBAUMEIRP-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(octadecanoyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

473.35388 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.36116 222.6
[M+Na]+ 496.34310 218.8
[M-H]- 472.34660 221.5
[M+NH4]+ 491.38770 230.0
[M+K]+ 512.31704 214.3
[M+H-H2O]+ 456.35114 213.6
[M+HCOO]- 518.35208 230.7
[M+CH3COO]- 532.36773 238.5
[M+Na-2H]- 494.32855 216.3
[M]+ 473.35333 227.6
[M]- 473.35443 227.6
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.