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]+ 237.080456 151.9
[M+Na]+ 259.062398 158.4
[M-H]- 235.065904 152.3
[M+NH4]+ 254.107003 164.5
[M+K]+ 275.036338 152.9
[M+H-H2O]+ 219.070440 143.6
[M+HCOO]- 281.071381 162.7
[M+CH3COO]- 295.087031 161.4
[M+Na-2H]- 257.047846 152.7
[M]+ 236.07263142 145.7
[M]- 236.07372858 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.