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 190.0
[M+Na]+ 426.04498 198.0
[M-H]- 402.04848 196.5
[M+NH4]+ 421.08958 200.8
[M+K]+ 442.01892 191.1
[M+H-H2O]+ 386.05302 180.4
[M+HCOO]- 448.05396 200.5
[M+CH3COO]- 462.06961 220.5
[M+Na-2H]- 424.03043 187.2
[M]+ 403.05521 193.9
[M]- 403.05631 193.9
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.