CID 139597766

3,4-dihydroxy-n,n-dimethyl-n-(3-{[(perfluoropentyl)sulfonyl]amino}propyl)-1-butanaminium

Structural Information

Molecular Formula
C14H22F11N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(CO)O
InChI
InChI=1S/C14H22F11N2O4S/c1-27(2,7-4-9(29)8-28)6-3-5-26-32(30,31)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h9,26,28-29H,3-8H2,1-2H3/q+1
InChIKey
WXVAPDQRFHNNTQ-UHFFFAOYSA-N
Compound name
3,4-dihydroxybutyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.1125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.11978 172.1
[M+Na]+ 546.10172 173.2
[M+NH4]+ 541.14632 173.9
[M+K]+ 562.07566 174.3
[M-H]- 522.10522 171.5
[M+Na-2H]- 544.08717 170.8
[M]+ 523.11195 172.6
[M]- 523.11305 172.6
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.