CID 113146

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

Structural Information

Molecular Formula
C22H43NO4S
SMILES
CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C1CCCCC1
InChI
InChI=1S/C22H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(24)23(19-20-28(25,26)27)21-16-13-12-14-17-21/h21H,2-20H2,1H3,(H,25,26,27)
InChIKey
PSDXBZRUYLXMLG-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(tetradecanoyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

417.2913 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.29858 206.1
[M+Na]+ 440.28052 204.1
[M-H]- 416.28402 205.9
[M+NH4]+ 435.32512 215.8
[M+K]+ 456.25446 200.4
[M+H-H2O]+ 400.28856 197.8
[M+HCOO]- 462.28950 215.5
[M+CH3COO]- 476.30515 226.9
[M+Na-2H]- 438.26597 201.6
[M]+ 417.29075 209.7
[M]- 417.29185 209.7
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

No patent data available for this compound.