CID 139594746

N,n-dimethyl-n-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-3-(perfluorononanamido)propan-1-aminium

Structural Information

Molecular Formula
C19H22F17N2O3
SMILES
CC(C)OC(=O)C[N+](C)(C)CCCNC(=O)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
InChI
InChI=1S/C19H21F17N2O3/c1-9(2)41-10(39)8-38(3,4)7-5-6-37-11(40)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9H,5-8H2,1-4H3/p+1
InChIKey
DLKJKOKTLCHZLW-UHFFFAOYSA-O
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)propyl-dimethyl-(2-oxo-2-propan-2-yloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.1359 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.14318 156.1
[M+Na]+ 672.12512 156.2
[M+NH4]+ 667.16972 156.3
[M+K]+ 688.09906 156.3
[M-H]- 648.12862 156.0
[M+Na-2H]- 670.11057 155.8
[M]+ 649.13535 156.1
[M]- 649.13645 156.1
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.