CID 3022245

Dtxsid20881030

Structural Information

Molecular Formula
C19H24F17N2O3
SMILES
C[N+](C)(CCCNCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)CCC(=O)O
InChI
InChI=1S/C19H23F17N2O3/c1-38(2,7-4-11(40)41)6-3-5-37-9-10(39)8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10,37,39H,3-9H2,1-2H3/p+1
InChIKey
IYAILADQVOJMHN-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

651.15155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.15883 216.9
[M+Na]+ 674.14077 220.8
[M-H]- 650.14427 229.3
[M+NH4]+ 669.18537 226.0
[M+K]+ 690.11471 230.0
[M+H-H2O]+ 634.14881 198.9
[M+HCOO]- 696.14975 229.3
[M+CH3COO]- 710.16540 257.8
[M+Na-2H]- 672.12622 210.8
[M]+ 651.15100 210.1
[M]- 651.15210 210.1
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.