CID 476264

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

Structural Information

Molecular Formula
C11H8N2O3S2
SMILES
C1=CC=C(C=C1)N2C(=O)NC3=CSC=C3S2(=O)=O
InChI
InChI=1S/C11H8N2O3S2/c14-11-12-9-6-17-7-10(9)18(15,16)13(11)8-4-2-1-3-5-8/h1-7H,(H,12,14)
InChIKey
GSUCEIXCHBYRHT-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-phenyl-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

279.99762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00490 156.2
[M+Na]+ 302.98684 167.9
[M-H]- 278.99034 160.4
[M+NH4]+ 298.03144 174.6
[M+K]+ 318.96078 161.8
[M+H-H2O]+ 262.99488 151.0
[M+HCOO]- 324.99582 166.3
[M+CH3COO]- 339.01147 168.1
[M+Na-2H]- 300.97229 159.1
[M]+ 279.99707 157.9
[M]- 279.99817 157.9
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.