CID 2824250

Zinc01040572

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂S

SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC=CO3

InChI

InChI=1S/C19H19N3O2S/c1-13(2)14-5-7-15(8-6-14)21-18(23)12-25-19-20-10-9-16(22-19)17-4-3-11-24-17/h3-11,13H,12H2,1-2H3,(H,21,23)

InChIKey

ASINDISBLBEUNG-UHFFFAOYSA-N

Compound name

2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 353.1198 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]+	354.127076	183.7
[M+Na]+	376.109018	190.7
[M-H]-	352.112524	191.9
[M+NH4]+	371.153623	194.4
[M+K]+	392.082958	186.5
[M+H-H2O]+	336.117060	174.3
[M+HCOO]-	398.118001	199.9
[M+CH3COO]-	412.133651	193.8
[M+Na-2H]-	374.094466	183.7
[M]+	353.11925142	187.5
[M]-	353.12034858	187.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.