CID 476270

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

Structural Information

Molecular Formula
C12H10N2O3S2
SMILES
C1=CC=C(C=C1)CN2C(=O)NC3=CSC=C3S2(=O)=O
InChI
InChI=1S/C12H10N2O3S2/c15-12-13-10-7-18-8-11(10)19(16,17)14(12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15)
InChIKey
JADZVZKLELALDD-UHFFFAOYSA-N
Compound name
2-benzyl-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

294.01328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02056 160.2
[M+Na]+ 317.00250 171.4
[M-H]- 293.00600 164.2
[M+NH4]+ 312.04710 178.0
[M+K]+ 332.97644 165.2
[M+H-H2O]+ 277.01054 154.8
[M+HCOO]- 339.01148 170.0
[M+CH3COO]- 353.02713 171.7
[M+Na-2H]- 314.98795 162.7
[M]+ 294.01273 162.2
[M]- 294.01383 162.2
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.