PubChemLite - N-[3-(dimethylamino)propyl]-2-[(perfluorodecyl)ethylthio]acetamide (C19H19F21N2OS)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	723.09554	216.1
[M+Na]+	745.07748	221.1
[M-H]-	721.08098	225.9
[M+NH4]+	740.12208	228.2
[M+K]+	761.05142	234.4
[M+H-H2O]+	705.08552	203.2
[M+HCOO]-	767.08646	227.6
[M+CH3COO]-	781.10211	273.8
[M+Na-2H]-	743.06293	213.0
[M]+	722.08771	212.9
[M]-	722.08881	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

723.09554

216.1

[M+Na]+

745.07748

221.1

[M-H]-

721.08098

225.9

[M+NH4]+

740.12208

228.2

[M+K]+

761.05142

234.4

[M+H-H2O]+

705.08552

203.2

[M+HCOO]-

767.08646

227.6

[M+CH3COO]-

781.10211

273.8

[M+Na-2H]-

743.06293

213.0

[M]+

722.08771

212.9

[M]-

722.08881

212.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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