CID 20112893

4-(pyrimidin-2-yl)piperazine-1-carbothioamide

Structural Information

Molecular Formula
C9H13N5S
SMILES
C1CN(CCN1C2=NC=CC=N2)C(=S)N
InChI
InChI=1S/C9H13N5S/c10-8(15)13-4-6-14(7-5-13)9-11-2-1-3-12-9/h1-3H,4-7H2,(H2,10,15)
InChIKey
JFQQCLFERGTRQN-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-ylpiperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08917 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09645 149.0
[M+Na]+ 246.07839 155.7
[M-H]- 222.08189 149.4
[M+NH4]+ 241.12299 161.6
[M+K]+ 262.05233 151.1
[M+H-H2O]+ 206.08643 139.8
[M+HCOO]- 268.08737 160.1
[M+CH3COO]- 282.10302 158.8
[M+Na-2H]- 244.06384 151.4
[M]+ 223.08862 143.8
[M]- 223.08972 143.8
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.