CID 3080494

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-(1h-imidazol-2-ylthio)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H16ClN3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3
InChI
InChI=1S/C19H16ClN3O2S/c1-23(17(24)12-26-19-21-9-10-22-19)16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)
InChIKey
OKWIBHYACWXYMX-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.0652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07248 187.1
[M+Na]+ 408.05442 200.3
[M+NH4]+ 403.09902 194.1
[M+K]+ 424.02836 193.0
[M-H]- 384.05792 191.8
[M+Na-2H]- 406.03987 195.6
[M]+ 385.06465 191.0
[M]- 385.06575 191.0
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.