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

310
Patents

182.05139 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 138.3
[M+Na]+ 205.04061 148.5
[M+NH4]+ 200.08521 146.5
[M+K]+ 221.01455 142.7
[M-H]- 181.04411 139.8
[M+Na-2H]- 203.02606 143.0
[M]+ 182.05084 140.3
[M]- 182.05194 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe