CID 162396597

Dtxsid501032613

Structural Information

Molecular Formula
C16H21F17N4O2S
SMILES
CCN(CCNCCNCCN)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/C16H21F17N4O2S/c1-2-37(8-7-36-6-5-35-4-3-34)40(38,39)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/h35-36H,2-8,34H2,1H3
InChIKey
UEAOHPCSUVZDJQ-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

656.1114 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.11868 191.4
[M+Na]+ 679.10062 198.5
[M-H]- 655.10412 203.8
[M+NH4]+ 674.14522 200.2
[M+K]+ 695.07456 207.0
[M+H-H2O]+ 639.10866 177.1
[M+HCOO]- 701.10960 203.3
[M+CH3COO]- 715.12525 268.7
[M+Na-2H]- 677.08607 188.5
[M]+ 656.11085 184.9
[M]- 656.11195 184.9
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.