CID 158422

1-propanaminium, n,n-diethyl-n-methyl-3-((2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy)-1-oxopropyl)amino)-, iodide

Structural Information

Molecular Formula
C17H20F17N2O3
SMILES
CC[N+](C)(CC)CCCNC(=O)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
InChI
InChI=1S/C17H19F17N2O3/c1-4-36(3,5-2)8-6-7-35-9(37)10(18,13(22,23)24)38-17(33,34)12(21,15(28,29)30)39-16(31,32)11(19,20)14(25,26)27/h4-8H2,1-3H3/p+1
InChIKey
ZZZQJBXYJYDVRK-UHFFFAOYSA-O
Compound name
diethyl-methyl-[3-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

623.12024 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.12752 212.9
[M+Na]+ 646.10946 218.7
[M-H]- 622.11296 225.7
[M+NH4]+ 641.15406 224.7
[M+K]+ 662.08340 226.5
[M+H-H2O]+ 606.11750 196.7
[M+HCOO]- 668.11844 231.1
[M+CH3COO]- 682.13409 255.2
[M+Na-2H]- 644.09491 208.4
[M]+ 623.11969 208.2
[M]- 623.12079 208.2
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.