CID 139595532

N,n-dimethyl-n-(3-sulfopropyl)-3-[(perfluoro-1-sulfonylpentadecyl)amino]-1-propanaminium

Structural Information

Molecular Formula
C15H20F15N2O5S2
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)CCCS(=O)(=O)O
InChI
InChI=1S/C15H19F15N2O5S2/c1-32(2,7-4-8-38(33,34)35)6-3-5-31-39(36,37)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h31H,3-8H2,1-2H3/p+1
InChIKey
JBIBCIRUKQQRNB-UHFFFAOYSA-O
Compound name
dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

657.05743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.06471 209.4
[M+Na]+ 680.04665 210.6
[M-H]- 656.05015 219.5
[M+NH4]+ 675.09125 219.1
[M+K]+ 696.02059 219.5
[M+H-H2O]+ 640.05469 190.6
[M+HCOO]- 702.05563 228.3
[M+CH3COO]- 716.07128 251.0
[M+Na-2H]- 678.03210 203.3
[M]+ 657.05688 210.0
[M]- 657.05798 210.0
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.