CID 479438

2-octadecylsulfonylacetamide

Structural Information

Molecular Formula
C20H41NO3S
SMILES
CCCCCCCCCCCCCCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(23,24)19-20(21)22/h2-19H2,1H3,(H2,21,22)
InChIKey
BKWHZLVUUBROEQ-UHFFFAOYSA-N
Compound name
2-octadecylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.2807 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.28798 197.7
[M+Na]+ 398.26992 198.6
[M-H]- 374.27342 194.8
[M+NH4]+ 393.31452 209.6
[M+K]+ 414.24386 193.6
[M+H-H2O]+ 358.27796 190.0
[M+HCOO]- 420.27890 210.5
[M+CH3COO]- 434.29455 221.5
[M+Na-2H]- 396.25537 193.6
[M]+ 375.28015 205.4
[M]- 375.28125 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.