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: 1
Patents: 373.10156 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	374.108836	187.0
[M+Na]+	396.090778	193.6
[M-H]-	372.094284	194.0
[M+NH4]+	391.135383	199.1
[M+K]+	412.064718	186.7
[M+H-H2O]+	356.098820	178.0
[M+HCOO]-	418.099761	197.8
[M+CH3COO]-	432.115411	196.2
[M+Na-2H]-	394.076226	185.1
[M]+	373.10101142	189.7
[M]-	373.10210858	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.