CID 11679563

84166-37-0

Structural Information

Molecular Formula
C20H20F23N2O4
SMILES
CC[N+](C)(CC)CCCNC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C20H19F23N2O4/c1-4-45(3,5-2)8-6-7-44-9(46)10(21,14(26,27)28)47-19(40,41)12(24,16(32,33)34)49-20(42,43)13(25,17(35,36)37)48-18(38,39)11(22,23)15(29,30)31/h4-8H2,1-3H3/p+1
InChIKey
TYUHVLFBGXOJSW-UHFFFAOYSA-O
Compound name
diethyl-methyl-[3-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

789.1056 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.11288 232.9
[M+Na]+ 812.09482 236.3
[M-H]- 788.09832 248.7
[M+NH4]+ 807.13942 246.9
[M+K]+ 828.06876 248.8
[M+H-H2O]+ 772.10286 215.2
[M+HCOO]- 834.10380 249.0
[M+CH3COO]- 848.11945 272.5
[M+Na-2H]- 810.08027 229.5
[M]+ 789.10505 228.8
[M]- 789.10615 228.8
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.