CID 175591

3-{[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino}-2-hydroxy-1-propanesulfonic acid

Structural Information

Molecular Formula
C16H19F17N2O6S2
SMILES
CN(C)CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H19F17N2O6S2/c1-34(2)4-3-5-35(6-8(36)7-42(37,38)39)43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h8,36H,3-7H2,1-2H3,(H,37,38,39)
InChIKey
LGLNTFXAUMMBJX-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

722.0413 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.04858 209.6
[M+Na]+ 745.03052 212.3
[M-H]- 721.03402 222.9
[M+NH4]+ 740.07512 224.1
[M+K]+ 761.00446 224.5
[M+H-H2O]+ 705.03856 196.4
[M+HCOO]- 767.03950 219.5
[M+CH3COO]- 781.05515 266.7
[M+Na-2H]- 743.01597 205.6
[M]+ 722.04075 211.3
[M]- 722.04185 211.3
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.