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

0
Patents

353.0931 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10038 181.8
[M+Na]+ 376.08232 188.9
[M-H]- 352.08582 190.3
[M+NH4]+ 371.12692 194.1
[M+K]+ 392.05626 183.8
[M+H-H2O]+ 336.09036 171.5
[M+HCOO]- 398.09130 199.5
[M+CH3COO]- 412.10695 215.6
[M+Na-2H]- 374.06777 182.5
[M]+ 353.09255 185.5
[M]- 353.09365 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