CID 122087

Zoxamide

Structural Information

Molecular Formula
C14H16Cl3NO2
SMILES
CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl
InChI
InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
InChIKey
SOUGWDPPRBKJEX-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

37
References

30284
Patents

335.02466 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03194 171.3
[M+Na]+ 358.01388 180.0
[M-H]- 334.01738 173.7
[M+NH4]+ 353.05848 186.8
[M+K]+ 373.98782 173.8
[M+H-H2O]+ 318.02192 168.1
[M+HCOO]- 380.02286 177.7
[M+CH3COO]- 394.03851 211.3
[M+Na-2H]- 355.99933 171.3
[M]+ 335.02411 176.4
[M]- 335.02521 176.4
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.