CID 3070020

3-oxo-2-(2-thienyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
C1CN(C(C(=O)N1)C2=CC=CS2)C(=O)N
InChI
InChI=1S/C9H11N3O2S/c10-9(14)12-4-3-11-8(13)7(12)6-2-1-5-15-6/h1-2,5,7H,3-4H2,(H2,10,14)(H,11,13)
InChIKey
MVXKTRMFTSSHDX-UHFFFAOYSA-N
Compound name
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0572 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 148.6
[M+Na]+ 248.04642 155.5
[M-H]- 224.04992 150.9
[M+NH4]+ 243.09102 165.1
[M+K]+ 264.02036 151.6
[M+H-H2O]+ 208.05446 141.6
[M+HCOO]- 270.05540 162.2
[M+CH3COO]- 284.07105 183.8
[M+Na-2H]- 246.03187 147.4
[M]+ 225.05665 144.0
[M]- 225.05775 144.0
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

No patent data available for this compound.