CID 170917365

N,n-dioctyl-6-oxohexane-1-sulfonamide

Structural Information

Molecular Formula
C22H45NO3S
SMILES
CCCCCCCCN(CCCCCCCC)S(=O)(=O)CCCCCC=O
InChI
InChI=1S/C22H45NO3S/c1-3-5-7-9-11-15-19-23(20-16-12-10-8-6-4-2)27(25,26)22-18-14-13-17-21-24/h21H,3-20,22H2,1-2H3
InChIKey
DQFMQZAGUSHZIW-UHFFFAOYSA-N
Compound name
N,N-dioctyl-6-oxohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.312 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.31928 206.1
[M+Na]+ 426.30122 210.9
[M+NH4]+ 421.34582 221.2
[M+K]+ 442.27516 201.7
[M-H]- 402.30472 203.7
[M+Na-2H]- 424.28667 204.6
[M]+ 403.31145 206.2
[M]- 403.31255 206.2
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.