CID 3001393

5-carbamothioyl-3-pyrrolidin-1-yl-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C10H13N5OS
SMILES
C1CCN(C1)C2=NC(=CN=C2C(=O)N)C(=S)N
InChI
InChI=1S/C10H13N5OS/c11-8(16)7-10(15-3-1-2-4-15)14-6(5-13-7)9(12)17/h5H,1-4H2,(H2,11,16)(H2,12,17)
InChIKey
OCEPQDPQQIZZBZ-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08408 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09136 155.3
[M+Na]+ 274.07330 162.2
[M-H]- 250.07680 157.5
[M+NH4]+ 269.11790 169.5
[M+K]+ 290.04724 158.0
[M+H-H2O]+ 234.08134 147.0
[M+HCOO]- 296.08228 169.4
[M+CH3COO]- 310.09793 195.7
[M+Na-2H]- 272.05875 153.6
[M]+ 251.08353 151.2
[M]- 251.08463 151.2
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.