CID 139598249

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

Structural Information

Molecular Formula
C14H26F7N2O10S3
SMILES
C[N+](C)(CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C14H25F7N2O10S3/c1-23(2,7-11(25)9-35(29,30)31)5-3-4-22(6-10(24)8-34(26,27)28)36(32,33)14(20,21)12(15,16)13(17,18)19/h10-11,24-25H,3-9H2,1-2H3,(H-,26,27,28,29,30,31)/p+1
InChIKey
ZRFZLMATEPZSPR-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl-(2-hydroxy-3-sulfopropyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

611.0638 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.07108 198.9
[M+Na]+ 634.05302 197.4
[M-H]- 610.05652 207.5
[M+NH4]+ 629.09762 207.6
[M+K]+ 650.02696 201.9
[M+H-H2O]+ 594.06106 183.3
[M+HCOO]- 656.06200 208.4
[M+CH3COO]- 670.07765 237.3
[M+Na-2H]- 632.03847 190.5
[M]+ 611.06325 201.5
[M]- 611.06435 201.6
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.