CID 3080489

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

Structural Information

Molecular Formula
C19H20ClN3OS
SMILES
CN(C1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)C(=O)CSC3=NCCN3
InChI
InChI=1S/C19H20ClN3OS/c1-23(18(24)13-25-19-21-9-10-22-19)17-8-7-16(20)12-15(17)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3,(H,21,22)
InChIKey
LNZFAXDUGDGESY-UHFFFAOYSA-N
Compound name
N-(2-benzyl-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

373.10156 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10884 187.0
[M+Na]+ 396.09078 193.6
[M-H]- 372.09428 194.0
[M+NH4]+ 391.13538 199.1
[M+K]+ 412.06472 186.7
[M+H-H2O]+ 356.09882 178.0
[M+HCOO]- 418.09976 197.8
[M+CH3COO]- 432.11541 196.2
[M+Na-2H]- 394.07623 185.1
[M]+ 373.10101 189.7
[M]- 373.10211 189.7
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.