CID 139594449

Dtxsid901028529

Structural Information

Molecular Formula
C14H6N2O3S2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C(=O)N
InChI
InChI=1S/C14H6N2O3S2/c15-5-8-11(14(16)19)21-13-10(18)7-4-2-1-3-6(7)9(17)12(13)20-8/h1-4H,(H2,16,19)
InChIKey
BXPPQSKGFKYGKK-UHFFFAOYSA-N
Compound name
2-cyano-5,10-dioxobenzo[g][1,4]benzodithiine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

313.982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98928 180.3
[M+Na]+ 336.97122 194.8
[M-H]- 312.97472 185.6
[M+NH4]+ 332.01582 195.9
[M+K]+ 352.94516 186.9
[M+H-H2O]+ 296.97926 168.5
[M+HCOO]- 358.98020 190.3
[M+CH3COO]- 372.99585 190.5
[M+Na-2H]- 334.95667 183.2
[M]+ 313.98145 180.3
[M]- 313.98255 180.3
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.