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

12
Patents

789.1056 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.112876 232.9
[M+Na]+ 812.094818 236.3
[M-H]- 788.098324 248.7
[M+NH4]+ 807.139423 246.9
[M+K]+ 828.068758 248.8
[M+H-H2O]+ 772.102860 215.2
[M+HCOO]- 834.103801 249.0
[M+CH3COO]- 848.119451 272.5
[M+Na-2H]- 810.080266 229.5
[M]+ 789.10505142 228.8
[M]- 789.10614858 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.