CID 7063902

874623-34-4

Structural Information

Molecular Formula
C9H9N3O3S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=NNC2=O)C
InChI
InChI=1S/C9H9N3O3S/c1-3-15-9(14)6-4(2)5-7(13)10-12-11-8(5)16-6/h3H2,1-2H3,(H,10,11,13)
InChIKey
HSBFDKNBQHHPJB-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]triazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04375 148.4
[M+Na]+ 262.02569 161.0
[M-H]- 238.02919 149.3
[M+NH4]+ 257.07029 165.5
[M+K]+ 277.99963 157.1
[M+H-H2O]+ 222.03373 142.0
[M+HCOO]- 284.03467 164.6
[M+CH3COO]- 298.05032 186.2
[M+Na-2H]- 260.01114 151.2
[M]+ 239.03592 154.7
[M]- 239.03702 154.7
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.