CID 42607333

N-docosanoyltaurine(1-)

Structural Information

Molecular Formula
C24H49NO4S
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChI
InChI=1S/C24H49NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23-30(27,28)29/h2-23H2,1H3,(H,25,26)(H,27,28,29)
InChIKey
SAIMYQVCHHQQMU-UHFFFAOYSA-N
Compound name
2-(docosanoylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

447.33823 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.34551 217.0
[M+Na]+ 470.32745 219.7
[M+NH4]+ 465.37205 227.0
[M+K]+ 486.30139 226.6
[M-H]- 446.33095 215.8
[M+Na-2H]- 468.31290 213.4
[M]+ 447.33768 216.0
[M]- 447.33878 216.0
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