CID 139596909

2-hydroxy-n,n-dimethyl-3-sulfo-n-[3-[[(perfluoroheptyl)sulfonyl]amino]propyl]-1-propanaminium

Structural Information

Molecular Formula
C15H20F15N2O6S2
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C15H19F15N2O6S2/c1-32(2,6-8(33)7-39(34,35)36)5-3-4-31-40(37,38)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h8,31,33H,3-7H2,1-2H3/p+1
InChIKey
RGCDBPJRBNLCOC-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

673.0523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.05958 209.3
[M+Na]+ 696.04152 209.7
[M-H]- 672.04502 220.9
[M+NH4]+ 691.08612 219.0
[M+K]+ 712.01546 219.0
[M+H-H2O]+ 656.04956 190.2
[M+HCOO]- 718.05050 224.8
[M+CH3COO]- 732.06615 251.0
[M+Na-2H]- 694.02697 203.0
[M]+ 673.05175 209.3
[M]- 673.05285 209.3
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.