CID 3080499

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

Structural Information

Molecular Formula
C21H19Cl2N3O2S
SMILES
CCN1C=CN=C1SCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H19Cl2N3O2S/c1-3-26-11-10-24-21(26)29-13-19(27)25(2)18-9-8-14(22)12-16(18)20(28)15-6-4-5-7-17(15)23/h4-12H,3,13H2,1-2H3
InChIKey
SYAFNRTUOKTKIN-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(1-ethylimidazol-2-yl)sulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.0575 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.06478 202.3
[M+Na]+ 470.04672 210.8
[M-H]- 446.05022 210.9
[M+NH4]+ 465.09132 212.8
[M+K]+ 486.02066 204.0
[M+H-H2O]+ 430.05476 193.6
[M+HCOO]- 492.05570 209.5
[M+CH3COO]- 506.07135 230.9
[M+Na-2H]- 468.03217 198.0
[M]+ 447.05695 211.1
[M]- 447.05805 211.1
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.