CID 3001179

3-(butylamino)-5-carbamothioyl-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C10H15N5OS
SMILES
CCCCNC1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C10H15N5OS/c1-2-3-4-13-10-7(8(11)16)14-5-6(15-10)9(12)17/h5H,2-4H2,1H3,(H2,11,16)(H2,12,17)(H,13,15)
InChIKey
URCMTOJZNUKQGQ-UHFFFAOYSA-N
Compound name
3-(butylamino)-5-carbamothioylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09973 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10701 156.5
[M+Na]+ 276.08895 162.8
[M-H]- 252.09245 156.6
[M+NH4]+ 271.13355 170.0
[M+K]+ 292.06289 158.4
[M+H-H2O]+ 236.09699 148.2
[M+HCOO]- 298.09793 172.9
[M+CH3COO]- 312.11358 201.8
[M+Na-2H]- 274.07440 156.8
[M]+ 253.09918 155.0
[M]- 253.10028 155.0
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.