CID 3003780

6944-72-5

Structural Information

Molecular Formula
C4H5N3OS
SMILES
CN1C(=S)NC(=O)C=N1
InChI
InChI=1S/C4H5N3OS/c1-7-4(9)6-3(8)2-5-7/h2H,1H3,(H,6,8,9)
InChIKey
UCTPUKKFTZLAAL-UHFFFAOYSA-N
Compound name
2-methyl-3-sulfanylidene-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

143.01534 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02262 123.7
[M+Na]+ 166.00456 135.7
[M-H]- 142.00806 123.2
[M+NH4]+ 161.04916 141.7
[M+K]+ 181.97850 131.7
[M+H-H2O]+ 126.01260 117.4
[M+HCOO]- 188.01354 139.8
[M+CH3COO]- 202.02919 168.4
[M+Na-2H]- 163.99001 128.8
[M]+ 143.01479 124.3
[M]- 143.01589 124.3
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

patents stripe