CID 139594490

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

Structural Information

Molecular Formula
C21H19F25N2OS
SMILES
CN(C)CCCNC(=O)CSCCC(C(C(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)(F)F)(F)F
InChI
InChI=1S/C21H19F25N2OS/c1-48(2)6-3-5-47-9(49)8-50-7-4-10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)20(42,43)21(44,45)46/h3-8H2,1-2H3,(H,47,49)
InChIKey
CCMUAEHIXDQRMG-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

822.0819 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 823.08918 152.6
[M+Na]+ 845.07112 152.6
[M+NH4]+ 840.11572 152.6
[M+K]+ 861.04506 152.6
[M-H]- 821.07462 152.6
[M+Na-2H]- 843.05657 152.6
[M]+ 822.08135 152.6
[M]- 822.08245 152.6
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.