CID 3023874

94159-83-8

Structural Information

Molecular Formula
C19H19F23N2O
SMILES
CN(C)CCCNC(CCC(C(C(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)(F)F)(F)F)O
InChI
InChI=1S/C19H19F23N2O/c1-44(2)7-3-6-43-8(45)4-5-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,43,45H,3-7H2,1-2H3
InChIKey
IBEWQQXACSADKT-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

728.11304 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.12032 152.8
[M+Na]+ 751.10226 152.8
[M+NH4]+ 746.14686 152.8
[M+K]+ 767.07620 152.8
[M-H]- 727.10576 152.7
[M+Na-2H]- 749.08771 152.7
[M]+ 728.11249 152.8
[M]- 728.11359 152.8
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.