CID 3080484

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

Structural Information

Molecular Formula
C19H15Cl2N3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CSC3=NC=CN3
InChI
InChI=1S/C19H15Cl2N3O2S/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
DEHODWVNYYIHSH-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

419.0262 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.03348 192.8
[M+Na]+ 442.01542 201.0
[M-H]- 418.01892 200.1
[M+NH4]+ 437.06002 203.5
[M+K]+ 457.98936 193.8
[M+H-H2O]+ 402.02346 184.7
[M+HCOO]- 464.02440 199.3
[M+CH3COO]- 478.04005 201.9
[M+Na-2H]- 440.00087 189.9
[M]+ 419.02565 198.8
[M]- 419.02675 198.8
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.