CID 6474475

5-carbamothioyl-3-[[(e)-prop-1-enyl]amino]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C9H11N5OS
SMILES
C/C=C/NC1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C9H11N5OS/c1-2-3-12-9-6(7(10)15)13-4-5(14-9)8(11)16/h2-4H,1H3,(H2,10,15)(H2,11,16)(H,12,14)/b3-2+
InChIKey
SUXJXNPZMMXYFS-NSCUHMNNSA-N
Compound name
5-carbamothioyl-3-[[(E)-prop-1-enyl]amino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07572 152.0
[M+Na]+ 260.05766 159.1
[M-H]- 236.06116 152.3
[M+NH4]+ 255.10226 166.1
[M+K]+ 276.03160 154.3
[M+H-H2O]+ 220.06570 144.0
[M+HCOO]- 282.06664 168.9
[M+CH3COO]- 296.08229 197.3
[M+Na-2H]- 258.04311 152.7
[M]+ 237.06789 149.4
[M]- 237.06899 149.4
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.