CID 174226

N-(2-hydroxyethyl)-3-{(2-hydroxy-3-sulfopropyl)[(perfluorohexyl)sulfonyl]amino}-n,n-dimethyl-1-propanaminium

Structural Information

Molecular Formula
C16H24F13N2O7S2
SMILES
C[N+](C)(CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C16H23F13N2O7S2/c1-31(2,6-7-32)5-3-4-30(8-10(33)9-39(34,35)36)40(37,38)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h10,32-33H,3-9H2,1-2H3/p+1
InChIKey
QJSROAIHGCCBIH-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-[3-[(2-hydroxy-3-sulfopropyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

667.0817 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 668.08898 165.4
[M+Na]+ 690.07092 165.9
[M+NH4]+ 685.11552 166.4
[M+K]+ 706.04486 166.6
[M-H]- 666.07442 165.3
[M+Na-2H]- 688.05637 164.7
[M]+ 667.08115 165.8
[M]- 667.08225 165.8
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.