CID 139596827

2-hydroxy-n,n-dimethyl-n-{3-perfluoro-1-sulfonylnonadecyl)amino]propyl}-3-sulfo-1-propanaminium

Structural Information

Molecular Formula
C17H20F19N2O6S2
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C17H19F19N2O6S2/c1-38(2,6-8(39)7-45(40,41)42)5-3-4-37-46(43,44)17(35,36)15(30,31)13(26,27)11(22,23)9(18,19)10(20,21)12(24,25)14(28,29)16(32,33)34/h8,37,39H,3-7H2,1-2H3/p+1
InChIKey
QSYMQOTXNVSRCF-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

773.04596 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.05324 154.0
[M+Na]+ 796.03518 154.0
[M+NH4]+ 791.07978 154.1
[M+K]+ 812.00912 154.1
[M-H]- 772.03868 154.0
[M+Na-2H]- 794.02063 153.9
[M]+ 773.04541 154.0
[M]- 773.04651 154.0
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

No patent data available for this compound.