CID 24212636

N-(4-butylphenyl)-2-(2,6-dichlorophenoxy)acetamide

Structural Information

Molecular Formula
C18H19Cl2NO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)COC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C18H19Cl2NO2/c1-2-3-5-13-8-10-14(11-9-13)21-17(22)12-23-18-15(19)6-4-7-16(18)20/h4,6-11H,2-3,5,12H2,1H3,(H,21,22)
InChIKey
JKFJPCHMPOGWBH-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-(2,6-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07928 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08656 180.2
[M+Na]+ 374.06850 188.2
[M-H]- 350.07200 185.9
[M+NH4]+ 369.11310 194.6
[M+K]+ 390.04244 181.3
[M+H-H2O]+ 334.07654 173.5
[M+HCOO]- 396.07748 194.2
[M+CH3COO]- 410.09313 213.6
[M+Na-2H]- 372.05395 181.8
[M]+ 351.07873 186.2
[M]- 351.07983 186.2
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.