CID 5279316

2-[5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-ethyl-imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula

C₁₇H₂₉N₃O₂S

SMILES

CCC1=C(N(C(=N1)SCC(=O)N)COCC)CC2CCCCC2

InChI

InChI=1S/C17H29N3O2S/c1-3-14-15(10-13-8-6-5-7-9-13)20(12-22-4-2)17(19-14)23-11-16(18)21/h13H,3-12H2,1-2H3,(H2,18,21)

InChIKey

CALQUMWQNBWCFN-UHFFFAOYSA-N

Compound name

2-[5-(cyclohexylmethyl)-1-(ethoxymethyl)-4-ethylimidazol-2-yl]sulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 339.19806 Da
Monoisotopic Mass: 3.9
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]+	340.205336	182.8
[M+Na]+	362.187278	187.0
[M-H]-	338.190784	185.3
[M+NH4]+	357.231883	195.6
[M+K]+	378.161218	182.7
[M+H-H2O]+	322.195320	174.2
[M+HCOO]-	384.196261	195.0
[M+CH3COO]-	398.211911	212.7
[M+Na-2H]-	360.172726	177.6
[M]+	339.19751142	183.9
[M]-	339.19860858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.