CID 3001175

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

Structural Information

Molecular Formula
C10H15N5OS
SMILES
CCN(CC)C1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C10H15N5OS/c1-3-15(4-2)10-7(8(11)16)13-5-6(14-10)9(12)17/h5H,3-4H2,1-2H3,(H2,11,16)(H2,12,17)
InChIKey
YCGAHGCNNRLQNC-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(diethylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09973 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10701 157.1
[M+Na]+ 276.08895 163.5
[M-H]- 252.09245 158.7
[M+NH4]+ 271.13355 171.2
[M+K]+ 292.06289 160.6
[M+H-H2O]+ 236.09699 148.7
[M+HCOO]- 298.09793 174.0
[M+CH3COO]- 312.11358 205.0
[M+Na-2H]- 274.07440 156.8
[M]+ 253.09918 156.9
[M]- 253.10028 156.9
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.