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]+ 314.989276 180.3
[M+Na]+ 336.971218 194.8
[M-H]- 312.974724 185.6
[M+NH4]+ 332.015823 195.9
[M+K]+ 352.945158 186.9
[M+H-H2O]+ 296.979260 168.5
[M+HCOO]- 358.980201 190.3
[M+CH3COO]- 372.995851 190.5
[M+Na-2H]- 334.956666 183.2
[M]+ 313.98145142 180.3
[M]- 313.98254858 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.