CID 3080509

128453-33-8

Structural Information

Molecular Formula
C20H19Cl2N3O2S
SMILES
CN1CCN=C1SCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H19Cl2N3O2S/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/h3-8,11H,9-10,12H2,1-2H3
InChIKey
VEYRWHOTGQIMAM-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06478 199.2
[M+Na]+ 458.04672 207.3
[M-H]- 434.05022 207.6
[M+NH4]+ 453.09132 210.3
[M+K]+ 474.02066 200.9
[M+H-H2O]+ 418.05476 190.8
[M+HCOO]- 480.05570 205.4
[M+CH3COO]- 494.07135 227.8
[M+Na-2H]- 456.03217 194.5
[M]+ 435.05695 206.2
[M]- 435.05805 206.2
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.