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 136.6
[M+Na]+ 209.01037 147.4
[M+NH4]+ 204.05497 142.3
[M+K]+ 224.98431 142.0
[M-H]- 185.01387 135.6
[M+Na-2H]- 206.99582 140.5
[M]+ 186.02060 137.9
[M]- 186.02170 137.9
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.