CID 139597198

N-(2-hydroxyethyl)-n,n-dimethyl-3-[(2-hydroxy-3-sulfopropyl)[(perfluorobutyl)sulfonyl]amino]-1-propanaminium, inner salt

Structural Information

Molecular Formula
C14H24F9N2O7S2
SMILES
C[N+](C)(CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C14H23F9N2O7S2/c1-25(2,6-7-26)5-3-4-24(8-10(27)9-33(28,29)30)34(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h10,26-27H,3-9H2,1-2H3/p+1
InChIKey
TUBYPRYDODWAGN-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-[3-[(2-hydroxy-3-sulfopropyl)-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

567.08813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.09541 198.7
[M+Na]+ 590.07735 200.3
[M-H]- 566.08085 207.2
[M+NH4]+ 585.12195 207.0
[M+K]+ 606.05129 204.3
[M+H-H2O]+ 550.08539 183.0
[M+HCOO]- 612.08633 212.3
[M+CH3COO]- 626.10198 236.2
[M+Na-2H]- 588.06280 190.9
[M]+ 567.08758 198.6
[M]- 567.08868 198.6
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.