CID 101871188

N-[3-(dimethylamino)propyl]-perfluoropentadecanamide

Structural Information

Molecular Formula
C20H13F29N2O
SMILES
CN(C)CCCNC(=O)C(C(C(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)(F)F)(F)F
InChI
InChI=1S/C20H13F29N2O/c1-51(2)5-3-4-50-6(52)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)49/h3-5H2,1-2H3,(H,50,52)
InChIKey
YNOFXSHQSDRKHC-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

848.05646 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.06374 224.1
[M+Na]+ 871.04568 228.6
[M-H]- 847.04918 239.7
[M+NH4]+ 866.09028 238.2
[M+K]+ 887.01962 244.0
[M+H-H2O]+ 831.05372 210.6
[M+HCOO]- 893.05466 236.1
[M+CH3COO]- 907.07031 280.7
[M+Na-2H]- 869.03113 225.6
[M]+ 848.05591 219.6
[M]- 848.05701 219.6
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.