CID 3080474

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1h-imidazol-2-yl)thio)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H18ClN3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CSC3=NCCN3
InChI
InChI=1S/C19H18ClN3O2S/c1-23(17(24)12-26-19-21-9-10-22-19)16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKey
XCAQOPILFJOFRX-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08808 189.2
[M+Na]+ 410.07002 195.5
[M-H]- 386.07352 196.4
[M+NH4]+ 405.11462 200.5
[M+K]+ 426.04396 189.3
[M+H-H2O]+ 370.07806 180.4
[M+HCOO]- 432.07900 199.4
[M+CH3COO]- 446.09465 216.4
[M+Na-2H]- 408.05547 186.6
[M]+ 387.08025 192.1
[M]- 387.08135 192.1
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.