CID 3053914

1h-imidazole-1-acetamide, n-(2-benzoyl-4-chlorophenyl)-n-methyl-

Structural Information

Molecular Formula
C19H16ClN3O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C19H16ClN3O2/c1-22(18(24)12-23-10-9-21-13-23)17-8-7-15(20)11-16(17)19(25)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKey
IVOZXXYHOHKWNW-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-imidazol-1-yl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.0931 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.100376 181.8
[M+Na]+ 376.082318 188.9
[M-H]- 352.085824 190.3
[M+NH4]+ 371.126923 194.1
[M+K]+ 392.056258 183.8
[M+H-H2O]+ 336.090360 171.5
[M+HCOO]- 398.091301 199.5
[M+CH3COO]- 412.106951 215.6
[M+Na-2H]- 374.067766 182.5
[M]+ 353.09255142 185.5
[M]- 353.09364858 185.5
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

patents stripe