CID 10565294

1,1-dioxo-3-phenyl-4h-thieno[3,2-b][1,4]thiazine-2-carbonitrile

Structural Information

Molecular Formula
C13H8N2O2S2
SMILES
C1=CC=C(C=C1)C2=C(S(=O)(=O)C3=C(N2)SC=C3)C#N
InChI
InChI=1S/C13H8N2O2S2/c14-8-11-12(9-4-2-1-3-5-9)15-13-10(6-7-18-13)19(11,16)17/h1-7,15H
InChIKey
IQNISJMJTLHDSC-UHFFFAOYSA-N
Compound name
1,1-dioxo-3-phenyl-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.00272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01000 173.4
[M+Na]+ 310.99194 188.0
[M-H]- 286.99544 178.7
[M+NH4]+ 306.03654 191.2
[M+K]+ 326.96588 179.4
[M+H-H2O]+ 270.99998 162.0
[M+HCOO]- 333.00092 182.1
[M+CH3COO]- 347.01657 183.9
[M+Na-2H]- 308.97739 175.2
[M]+ 288.00217 170.7
[M]- 288.00327 170.7
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.