CID 101871187

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

Structural Information

Molecular Formula
C18H13F25N2O
SMILES
CN(C)CCCNC(=O)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
InChI
InChI=1S/C18H13F25N2O/c1-45(2)5-3-4-44-6(46)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)43/h3-5H2,1-2H3,(H,44,46)
InChIKey
ZHYDCNCENVYPGO-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

748.06287 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.07015 210.8
[M+Na]+ 771.05209 216.5
[M-H]- 747.05559 225.6
[M+NH4]+ 766.09669 224.6
[M+K]+ 787.02603 230.4
[M+H-H2O]+ 731.06013 197.5
[M+HCOO]- 793.06107 223.7
[M+CH3COO]- 807.07672 274.6
[M+Na-2H]- 769.03754 211.3
[M]+ 748.06232 206.4
[M]- 748.06342 206.4
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.