CID 24698150

2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide

Structural Information

Molecular Formula
C10H12N4OS
SMILES
C1CN(CC(=O)N1)C2=C(C=CC=N2)C(=S)N
InChI
InChI=1S/C10H12N4OS/c11-9(16)7-2-1-3-13-10(7)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H2,11,16)(H,12,15)
InChIKey
FTPOIHHEPBTQIX-UHFFFAOYSA-N
Compound name
2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08046 151.9
[M+Na]+ 259.06240 158.4
[M-H]- 235.06590 152.3
[M+NH4]+ 254.10700 164.5
[M+K]+ 275.03634 152.9
[M+H-H2O]+ 219.07044 143.6
[M+HCOO]- 281.07138 162.7
[M+CH3COO]- 295.08703 161.4
[M+Na-2H]- 257.04785 152.7
[M]+ 236.07263 145.7
[M]- 236.07373 145.7
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.