CID 139594870

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

Structural Information

Molecular Formula
C17H19F17N2OS
SMILES
CN(C)CCCNC(=O)CSCCC(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/C17H19F17N2OS/c1-36(2)6-3-5-35-9(37)8-38-7-4-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h3-8H2,1-2H3,(H,35,37)
InChIKey
FDVMHCRVYYXNCE-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

622.09467 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.10195 205.0
[M+Na]+ 645.08389 211.3
[M-H]- 621.08739 212.3
[M+NH4]+ 640.12849 215.5
[M+K]+ 661.05783 221.3
[M+H-H2O]+ 605.09193 193.8
[M+HCOO]- 667.09287 216.9
[M+CH3COO]- 681.10852 262.5
[M+Na-2H]- 643.06934 200.9
[M]+ 622.09412 201.5
[M]- 622.09522 201.5
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.