CID 476269

2-(4-methoxyphenyl)-1,1-dioxo-4h-thieno[3,4-e][1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C12H10N2O4S2
SMILES
COC1=CC=C(C=C1)N2C(=O)NC3=CSC=C3S2(=O)=O
InChI
InChI=1S/C12H10N2O4S2/c1-18-9-4-2-8(3-5-9)14-12(15)13-10-6-19-7-11(10)20(14,16)17/h2-7H,1H3,(H,13,15)
InChIKey
LKLCSEPHADOFEX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-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

310.0082 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01548 163.2
[M+Na]+ 332.99742 174.7
[M-H]- 309.00092 167.4
[M+NH4]+ 328.04202 180.4
[M+K]+ 348.97136 169.0
[M+H-H2O]+ 293.00546 157.9
[M+HCOO]- 355.00640 173.0
[M+CH3COO]- 369.02205 174.7
[M+Na-2H]- 330.98287 165.4
[M]+ 310.00765 166.9
[M]- 310.00875 166.9
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.