CID 3001180

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

Structural Information

Molecular Formula
C10H15N5OS
SMILES
CC(C)CNC1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C10H15N5OS/c1-5(2)3-14-10-7(8(11)16)13-4-6(15-10)9(12)17/h4-5H,3H2,1-2H3,(H2,11,16)(H2,12,17)(H,14,15)
InChIKey
ITSUMQPGAYGYSB-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(2-methylpropylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09973 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10701 157.1
[M+Na]+ 276.08895 163.1
[M-H]- 252.09245 157.3
[M+NH4]+ 271.13355 170.5
[M+K]+ 292.06289 159.3
[M+H-H2O]+ 236.09699 149.0
[M+HCOO]- 298.09793 172.5
[M+CH3COO]- 312.11358 202.7
[M+Na-2H]- 274.07440 156.3
[M]+ 253.09918 155.1
[M]- 253.10028 155.1
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.