CID 55534

86745-94-0

Structural Information

Molecular Formula
C14H19Cl3N2O2
SMILES
CCN(CC)CCNC(=O)COC1=C(C=CC(=C1Cl)Cl)Cl
InChI
InChI=1S/C14H19Cl3N2O2/c1-3-19(4-2)8-7-18-12(20)9-21-14-11(16)6-5-10(15)13(14)17/h5-6H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKey
GUSPYQFPDBSJQY-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(2,3,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0512 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05848 178.5
[M+Na]+ 375.04042 186.1
[M-H]- 351.04392 181.6
[M+NH4]+ 370.08502 193.6
[M+K]+ 391.01436 180.8
[M+H-H2O]+ 335.04846 174.0
[M+HCOO]- 397.04940 188.6
[M+CH3COO]- 411.06505 218.8
[M+Na-2H]- 373.02587 178.2
[M]+ 352.05065 185.9
[M]- 352.05175 185.9
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.