CID 113146

63217-16-3

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 204.4
[M+Na]+ 440.28052 207.9
[M+NH4]+ 435.32512 208.2
[M+K]+ 456.25446 200.8
[M-H]- 416.28402 202.9
[M+Na-2H]- 438.26597 203.5
[M]+ 417.29075 204.4
[M]- 417.29185 204.4
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.