CID 139596018

N-[3-(dimethylamino)propyl]-2-[(perfluorodecyl)ethylthio]acetamide

Structural Information

Molecular Formula
C19H19F21N2OS
SMILES
CN(C)CCCNC(=O)CSCCC(C(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)(F)F)(F)F
InChI
InChI=1S/C19H19F21N2OS/c1-42(2)6-3-5-41-9(43)8-44-7-4-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h3-8H2,1-2H3,(H,41,43)
InChIKey
MBBHBJHYNQAGNW-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

722.08826 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.09554 153.1
[M+Na]+ 745.07748 153.2
[M+NH4]+ 740.12208 153.2
[M+K]+ 761.05142 153.2
[M-H]- 721.08098 153.1
[M+Na-2H]- 743.06293 153.1
[M]+ 722.08771 153.2
[M]- 722.08881 153.2
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.