CID 3070021

4-(2-hydroxyethyl)-3-(2-thienyl)piperazinone

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CN(C(C(=O)N1)C2=CC=CS2)CCO
InChI
InChI=1S/C10H14N2O2S/c13-6-5-12-4-3-11-10(14)9(12)8-2-1-7-15-8/h1-2,7,9,13H,3-6H2,(H,11,14)
InChIKey
AKCSDYAJUUUAAU-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.0776 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.7
[M+Na]+ 249.06682 156.6
[M-H]- 225.07032 150.9
[M+NH4]+ 244.11142 166.2
[M+K]+ 265.04076 152.2
[M+H-H2O]+ 209.07486 142.9
[M+HCOO]- 271.07580 161.9
[M+CH3COO]- 285.09145 180.5
[M+Na-2H]- 247.05227 148.9
[M]+ 226.07705 146.6
[M]- 226.07815 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe