PubChemLite - 1-hexanesulfonamide, n-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]- (C17H25F13N2O5S)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN(CCOCCOCCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C17H25F13N2O5S/c1-31(2)4-3-5-32(6-8-36-10-11-37-9-7-33)38(34,35)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h33H,3-11H2,1-2H3

InChIKey

MYUNUXCBXAGDOB-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]hexane-1-sulfonamide

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]+	617.13498	202.5
[M+Na]+	639.11692	208.3
[M-H]-	615.12042	211.2
[M+NH4]+	634.16152	214.9
[M+K]+	655.09086	215.7
[M+H-H2O]+	599.12496	192.8
[M+HCOO]-	661.12590	215.0
[M+CH3COO]-	675.14155	260.2
[M+Na-2H]-	637.10237	196.8
[M]+	616.12715	201.2
[M]-	616.12825	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.13498

202.5

[M+Na]+

639.11692

208.3

[M-H]-

615.12042

211.2

[M+NH4]+

634.16152

214.9

[M+K]+

655.09086

215.7

[M+H-H2O]+

599.12496

192.8

[M+HCOO]-

661.12590

215.0

[M+CH3COO]-

675.14155

260.2

[M+Na-2H]-

637.10237

196.8

[M]+

616.12715

201.2

[M]-

616.12825

201.2

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

1-hexanesulfonamide, n-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe