CID 173213

73772-32-4

Structural Information

Molecular Formula
C14H19F13N2O6S2
SMILES
CN(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
InChI
InChI=1S/C14H19F13N2O6S2/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h8,30H,3-7H2,1-2H3,(H,31,32,33)
InChIKey
PICDOBBGSXEWGK-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

622.04767 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.05495 164.4
[M+Na]+ 645.03689 165.0
[M+NH4]+ 640.08149 165.5
[M+K]+ 661.01083 165.7
[M-H]- 621.04039 164.3
[M+Na-2H]- 643.02234 163.8
[M]+ 622.04712 164.8
[M]- 622.04822 164.8
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.