CID 139595279

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

Structural Information

Molecular Formula
C17H26F13N2O10S3
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)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C17H25F13N2O10S3/c1-32(2,7-11(34)9-44(38,39)40)5-3-4-31(6-10(33)8-43(35,36)37)45(41,42)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h10-11,33-34H,3-9H2,1-2H3,(H-,35,36,37,38,39,40)/p+1
InChIKey
HQILQIXAHVRCNF-UHFFFAOYSA-O
Compound name
(2-hydroxy-3-sulfopropyl)-[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

761.0542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.06148 220.5
[M+Na]+ 784.04342 217.8
[M-H]- 760.04692 233.3
[M+NH4]+ 779.08802 232.2
[M+K]+ 800.01736 228.4
[M+H-H2O]+ 744.05146 201.8
[M+HCOO]- 806.05240 229.1
[M+CH3COO]- 820.06805 257.6
[M+Na-2H]- 782.02887 212.6
[M]+ 761.05365 224.3
[M]- 761.05475 224.3
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.