CID 10637255

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

Structural Information

Molecular Formula
C13H10N2O2S2
SMILES
C1=CC=C(C=C1)C2C(S(=O)(=O)C3=C(N2)SC=C3)C#N
InChI
InChI=1S/C13H10N2O2S2/c14-8-11-12(9-4-2-1-3-5-9)15-13-10(6-7-18-13)19(11,16)17/h1-7,11-12,15H
InChIKey
PXEVFJFOSROCCR-UHFFFAOYSA-N
Compound name
1,1-dioxo-3-phenyl-3,4-dihydro-2H-thieno[3,2-b][1,4]thiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.01837 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02565 173.0
[M+Na]+ 313.00759 186.7
[M-H]- 289.01109 178.0
[M+NH4]+ 308.05219 190.7
[M+K]+ 328.98153 178.3
[M+H-H2O]+ 273.01563 161.7
[M+HCOO]- 335.01657 180.5
[M+CH3COO]- 349.03222 183.1
[M+Na-2H]- 310.99304 174.3
[M]+ 290.01782 169.2
[M]- 290.01892 169.2
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.