CID 1628366

4-(2,4-dichlorophenoxy)-n-(3,5-dimethylphenyl)butanamide

Structural Information

Molecular Formula
C18H19Cl2NO2
SMILES
CC1=CC(=CC(=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C18H19Cl2NO2/c1-12-8-13(2)10-15(9-12)21-18(22)4-3-7-23-17-6-5-14(19)11-16(17)20/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,22)
InChIKey
KCHZGRIPHYIITA-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)-N-(3,5-dimethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07928 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.086556 180.0
[M+Na]+ 374.068498 188.9
[M-H]- 350.072004 186.1
[M+NH4]+ 369.113103 194.7
[M+K]+ 390.042438 182.1
[M+H-H2O]+ 334.076540 173.6
[M+HCOO]- 396.077481 194.1
[M+CH3COO]- 410.093131 214.8
[M+Na-2H]- 372.053946 181.0
[M]+ 351.07873142 186.4
[M]- 351.07982858 186.4
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.