CID 24212598

N-(2,6-diethylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C18H17Cl4NO2
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H17Cl4NO2/c1-3-10-6-5-7-11(4-2)17(10)23-14(24)9-25-18-13(20)8-12(19)15(21)16(18)22/h5-8H,3-4,9H2,1-2H3,(H,23,24)
InChIKey
PYDJOAGNYRJAHM-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.00134 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.00862 190.3
[M+Na]+ 441.99056 200.1
[M-H]- 417.99406 193.8
[M+NH4]+ 437.03516 202.5
[M+K]+ 457.96450 192.9
[M+H-H2O]+ 401.99860 185.6
[M+HCOO]- 463.99954 193.2
[M+CH3COO]- 478.01519 226.0
[M+Na-2H]- 439.97601 187.6
[M]+ 419.00079 196.8
[M]- 419.00189 196.8
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.