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 188.0
[M+Na]+ 408.05442 195.3
[M-H]- 384.05792 195.6
[M+NH4]+ 403.09902 199.4
[M+K]+ 424.02836 188.8
[M+H-H2O]+ 368.06246 179.2
[M+HCOO]- 430.06340 199.6
[M+CH3COO]- 444.07905 197.6
[M+Na-2H]- 406.03987 186.4
[M]+ 385.06465 192.4
[M]- 385.06575 192.4
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.