CID 58246

101295-91-4

Structural Information

Molecular Formula
C24H54N2O2S
SMILES
CC[N+](CC)(CC)CCCCCCS(=O)(=O)CCCCCC[N+](CC)(CC)CC
InChI
InChI=1S/C24H54N2O2S/c1-7-25(8-2,9-3)21-17-13-15-19-23-29(27,28)24-20-16-14-18-22-26(10-4,11-5)12-6/h7-24H2,1-6H3/q+2
InChIKey
BCCGOLSCKIDSQZ-UHFFFAOYSA-N
Compound name
triethyl-[6-[6-(triethylazaniumyl)hexylsulfonyl]hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

434.3906 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.39788 245.6
[M+Na]+ 457.37982 251.4
[M-H]- 433.38332 239.1
[M+NH4]+ 452.42442 247.3
[M+K]+ 473.35376 247.1
[M+H-H2O]+ 417.38786 231.4
[M+HCOO]- 479.38880 266.6
[M+CH3COO]- 493.40445 229.7
[M+Na-2H]- 455.36527 232.2
[M]+ 434.39005 247.6
[M]- 434.39115 247.6
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.