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]+ 254.107006 156.5
[M+Na]+ 276.088948 162.8
[M-H]- 252.092454 156.6
[M+NH4]+ 271.133553 170.0
[M+K]+ 292.062888 158.4
[M+H-H2O]+ 236.096990 148.2
[M+HCOO]- 298.097931 172.9
[M+CH3COO]- 312.113581 201.8
[M+Na-2H]- 274.074396 156.8
[M]+ 253.09918142 155.0
[M]- 253.10027858 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.