CID 139594754

N,n-dimethyl-n-(3-sulfopropyl)-3-[[(perfluoropentyl)sulfonyl]amino]-1-propanaminium

Structural Information

Molecular Formula
C13H20F11N2O5S2
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)O
InChI
InChI=1S/C13H19F11N2O5S2/c1-26(2,7-4-8-32(27,28)29)6-3-5-25-33(30,31)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h25H,3-8H2,1-2H3/p+1
InChIKey
DNQQNHMQRHDWLQ-UHFFFAOYSA-O
Compound name
dimethyl-(3-sulfopropyl)-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

557.0638 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.07108 196.0
[M+Na]+ 580.05302 198.3
[M-H]- 556.05652 203.3
[M+NH4]+ 575.09762 203.6
[M+K]+ 596.02696 203.1
[M+H-H2O]+ 540.06106 179.1
[M+HCOO]- 602.06200 216.0
[M+CH3COO]- 616.07765 236.4
[M+Na-2H]- 578.03847 189.3
[M]+ 557.06325 196.5
[M]- 557.06435 196.5
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.