CID 19227

3613-89-6

Structural Information

Molecular Formula
C14H24Cl4N2O2
SMILES
CCN(CCCCCCN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C14H24Cl4N2O2/c1-3-19(13(21)11(15)16)9-7-5-6-8-10-20(4-2)14(22)12(17)18/h11-12H,3-10H2,1-2H3
InChIKey
IFMHJVAKBSKZFN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[6-[(2,2-dichloroacetyl)-ethylamino]hexyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06648 188.3
[M+Na]+ 415.04842 195.6
[M+NH4]+ 410.09302 193.4
[M+K]+ 431.02236 189.9
[M-H]- 391.05192 186.4
[M+Na-2H]- 413.03387 188.5
[M]+ 392.05865 189.4
[M]- 392.05975 189.4
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.