CID 139597719

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

Structural Information

Molecular Formula
C13H19F9N2OS
SMILES
CN(C)CCCNC(=O)CSCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H19F9N2OS/c1-24(2)6-3-5-23-9(25)8-26-7-4-10(14,15)11(16,17)12(18,19)13(20,21)22/h3-8H2,1-2H3,(H,23,25)
InChIKey
WRMYGBSKQYTLAI-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.10745 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11473 185.4
[M+Na]+ 445.09667 189.6
[M-H]- 421.10017 174.6
[M+NH4]+ 440.14127 193.3
[M+K]+ 461.07061 186.4
[M+H-H2O]+ 405.10471 171.7
[M+HCOO]- 467.10565 187.8
[M+CH3COO]- 481.12130 231.8
[M+Na-2H]- 443.08212 183.7
[M]+ 422.10690 176.4
[M]- 422.10800 176.4
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.