CID 16205758

Lvpncflxspimdj-uhfffaoysa-n

Structural Information

Molecular Formula
C23H24F25N2O3
SMILES
C[N+](C)(CCCNCC(CC(C(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)(F)F)(F)F)O)CCC(=O)O
InChI
InChI=1S/C23H23F25N2O3/c1-50(2,7-4-11(52)53)6-3-5-49-9-10(51)8-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h10,49,51H,3-9H2,1-2H3/p+1
InChIKey
LVPNCFLXSPIMDJ-UHFFFAOYSA-O
Compound name
2-carboxyethyl-dimethyl-[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

851.1388 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 852.14608 244.0
[M+Na]+ 874.12802 245.8
[M-H]- 850.13152 259.6
[M+NH4]+ 869.17262 255.7
[M+K]+ 890.10196 260.5
[M+H-H2O]+ 834.13606 224.8
[M+HCOO]- 896.13700 254.9
[M+CH3COO]- 910.15265 277.4
[M+Na-2H]- 872.11347 240.0
[M]+ 851.13825 238.3
[M]- 851.13935 238.3
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.