CID 476273

2-methyl-1,1-dioxo-4h-thieno[3,4-e][1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C6H6N2O3S2
SMILES
CN1C(=O)NC2=CSC=C2S1(=O)=O
InChI
InChI=1S/C6H6N2O3S2/c1-8-6(9)7-4-2-12-3-5(4)13(8,10)11/h2-3H,1H3,(H,7,9)
InChIKey
VYIIYOLZLCOHLX-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxo-4H-thieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.98198 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98926 138.7
[M+Na]+ 240.97120 150.6
[M-H]- 216.97470 139.8
[M+NH4]+ 236.01580 159.8
[M+K]+ 256.94514 146.3
[M+H-H2O]+ 200.97924 134.9
[M+HCOO]- 262.98018 148.4
[M+CH3COO]- 276.99583 151.5
[M+Na-2H]- 238.95665 141.4
[M]+ 217.98143 140.9
[M]- 217.98253 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.