CID 65649

Tenilsetam

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

C1CNC(=O)C(N1)C2=CC=CS2

InChI

InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)

InChIKey

BBACKDMGYMXYLE-UHFFFAOYSA-N

Compound name

3-thiophen-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 294
Patents: 182.05139 Da
Monoisotopic Mass: 0.3
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]+	183.05867	137.9
[M+Na]+	205.04061	145.1
[M-H]-	181.04411	139.2
[M+NH4]+	200.08521	156.0
[M+K]+	221.01455	140.7
[M+H-H2O]+	165.04865	131.4
[M+HCOO]-	227.04959	150.7
[M+CH3COO]-	241.06524	149.3
[M+Na-2H]-	203.02606	138.6
[M]+	182.05084	132.4
[M]-	182.05194	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe