CID 3018415

Ns00011394

Structural Information

Molecular Formula
C20H24F19N2O3
SMILES
C[N+](C)(CCCNCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)CCC(=O)O
InChI
InChI=1S/C20H23F19N2O3/c1-41(2,7-4-11(43)44)6-3-5-40-9-10(42)8-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39/h10,40,42H,3-9H2,1-2H3/p+1
InChIKey
PBKXSFWADDDQNY-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-[[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

701.1484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.15568 223.9
[M+Na]+ 724.13762 227.2
[M-H]- 700.14112 237.4
[M+NH4]+ 719.18222 233.9
[M+K]+ 740.11156 238.1
[M+H-H2O]+ 684.14566 205.2
[M+HCOO]- 746.14660 236.1
[M+CH3COO]- 760.16225 263.3
[M+Na-2H]- 722.12307 218.3
[M]+ 701.14785 217.3
[M]- 701.14895 217.3
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.