CID 15936195

N-(2-carboxyethyl)-3-(n-(2-carboxyethyl)-perfluorohexylsulfonamido)-n,n-dimethylpropan-1-aminium

Structural Information

Molecular Formula
C17H22F13N2O6S
SMILES
C[N+](C)(CCCN(CCC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)O
InChI
InChI=1S/C17H21F13N2O6S/c1-32(2,9-5-11(35)36)8-3-6-31(7-4-10(33)34)39(37,38)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h3-9H2,1-2H3,(H-,33,34,35,36)/p+1
InChIKey
SFCBLTGKAPVNIN-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-[2-carboxyethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.0991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.10638 165.7
[M+Na]+ 652.08832 166.3
[M+NH4]+ 647.13292 166.8
[M+K]+ 668.06226 167.0
[M-H]- 628.09182 165.5
[M+Na-2H]- 650.07377 164.9
[M]+ 629.09855 166.1
[M]- 629.09965 166.1
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.