CID 3080472

Acetamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1h-imidazol-2-yl)thio)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H17Cl2N3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CSC3=NCCN3
InChI
InChI=1S/C19H17Cl2N3O2S/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/h2-7,10H,8-9,11H2,1H3,(H,22,23)
InChIKey
RDGIGSAFNSBGFZ-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.04184 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04912 194.0
[M+Na]+ 444.03106 201.3
[M-H]- 420.03456 201.0
[M+NH4]+ 439.07566 204.7
[M+K]+ 460.00500 194.4
[M+H-H2O]+ 404.03910 186.0
[M+HCOO]- 466.04004 199.2
[M+CH3COO]- 480.05569 202.6
[M+Na-2H]- 442.01651 190.2
[M]+ 421.04129 198.6
[M]- 421.04239 198.6
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.