CID 139598046

3-[(perfluoro-1-oxoundecyl)amino]-n,n-dimethyl-n-[2-(1-methylethoxy)-2-oxoethyl]-1-propanaminium

Structural Information

Molecular Formula
C21H22F21N2O3
SMILES
CC(C)OC(=O)C[N+](C)(C)CCCNC(=O)C(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/C21H21F21N2O3/c1-9(2)47-10(45)8-44(3,4)7-5-6-43-11(46)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h9H,5-8H2,1-4H3/p+1
InChIKey
YMPFZDCUDSKEGU-UHFFFAOYSA-O
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl-dimethyl-(2-oxo-2-propan-2-yloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

749.1295 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 750.13678 236.6
[M+Na]+ 772.11872 241.7
[M-H]- 748.12222 253.5
[M+NH4]+ 767.16332 252.0
[M+K]+ 788.09266 254.0
[M+H-H2O]+ 732.12676 219.7
[M+HCOO]- 794.12770 249.4
[M+CH3COO]- 808.14335 271.2
[M+Na-2H]- 770.10417 232.9
[M]+ 749.12895 232.1
[M]- 749.13005 232.1
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.