CID 139597020

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

Structural Information

Molecular Formula
C15H19F13N2OS
SMILES
CN(C)CCCNC(=O)CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H19F13N2OS/c1-30(2)6-3-5-29-9(31)8-32-7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-8H2,1-2H3,(H,29,31)
InChIKey
RZXVVGDDDOAQKE-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.1011 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.10838 195.1
[M+Na]+ 545.09032 202.9
[M-H]- 521.09382 199.4
[M+NH4]+ 540.13492 203.5
[M+K]+ 561.06426 208.7
[M+H-H2O]+ 505.09836 186.4
[M+HCOO]- 567.09930 207.2
[M+CH3COO]- 581.11495 248.2
[M+Na-2H]- 543.07577 190.3
[M]+ 522.10055 191.7
[M]- 522.10165 191.7
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.