CID 3080504

Acetamide, n-(4-chloro-2-(2-fluorobenzoyl)phenyl)-2-(1h-imidazol-2-ylthio)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H15ClFN3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F)C(=O)CSC3=NC=CN3
InChI
InChI=1S/C19H15ClFN3O2S/c1-24(17(25)11-27-19-22-8-9-23-19)16-7-6-12(20)10-14(16)18(26)13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H,22,23)
InChIKey
SWOMRNZPZMVNHE-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

403.05576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06304 189.4
[M+Na]+ 426.04498 201.7
[M+NH4]+ 421.08958 195.5
[M+K]+ 442.01892 194.9
[M-H]- 402.04848 192.5
[M+Na-2H]- 424.03043 196.8
[M]+ 403.05521 192.6
[M]- 403.05631 192.6
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.