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]+ 849.063736 224.1
[M+Na]+ 871.045678 228.6
[M-H]- 847.049184 239.7
[M+NH4]+ 866.090283 238.2
[M+K]+ 887.019618 244.0
[M+H-H2O]+ 831.053720 210.6
[M+HCOO]- 893.054661 236.1
[M+CH3COO]- 907.070311 280.7
[M+Na-2H]- 869.031126 225.6
[M]+ 848.05591142 219.6
[M]- 848.05700858 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.