CID 13479927

96259-33-5

Structural Information

Molecular Formula
C5H6N4O2S
SMILES
CSC1=NNC(=O)C(=N1)C(=O)N
InChI
InChI=1S/C5H6N4O2S/c1-12-5-7-2(3(6)10)4(11)8-9-5/h1H3,(H2,6,10)(H,8,11)
InChIKey
DPVNEHIILRGEOJ-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-6-oxo-1H-1,2,4-triazine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02115 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02843 135.6
[M+Na]+ 209.01037 145.7
[M-H]- 185.01387 134.4
[M+NH4]+ 204.05497 150.9
[M+K]+ 224.98431 141.8
[M+H-H2O]+ 169.01841 128.5
[M+HCOO]- 231.01935 150.9
[M+CH3COO]- 245.03500 178.7
[M+Na-2H]- 206.99582 138.8
[M]+ 186.02060 135.6
[M]- 186.02170 135.6
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.