CID 3080478

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

Structural Information

Molecular Formula
C20H17Cl2N3O2S
SMILES
CN1C=CN=C1SCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H17Cl2N3O2S/c1-24-10-9-23-20(24)28-12-18(26)25(2)17-8-7-13(21)11-15(17)19(27)14-5-3-4-6-16(14)22/h3-11H,12H2,1-2H3
InChIKey
GDOGYFMGZCGGOO-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.04184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04912 199.2
[M+Na]+ 456.03106 213.8
[M+NH4]+ 451.07566 206.4
[M+K]+ 472.00500 205.5
[M-H]- 432.03456 204.2
[M+Na-2H]- 454.01651 207.1
[M]+ 433.04129 203.7
[M]- 433.04239 203.7
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.