CID 6311758

Nsc679240

Structural Information

Molecular Formula
C15H8N2O2S3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=C3)/C=C/4\C(=O)NC(=S)N4
InChI
InChI=1S/C15H8N2O2S3/c18-12-8-3-1-2-4-11(8)22-14-9(12)5-7(21-14)6-10-13(19)17-15(20)16-10/h1-6H,(H2,16,17,19,20)/b10-6+
InChIKey
FMKNPXKFOWSHER-UXBLZVDNSA-N
Compound name
(5E)-5-[(4-oxothieno[2,3-b]thiochromen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9748 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98208 174.0
[M+Na]+ 366.96402 187.9
[M-H]- 342.96752 178.0
[M+NH4]+ 362.00862 190.9
[M+K]+ 382.93796 178.0
[M+H-H2O]+ 326.97206 171.6
[M+HCOO]- 388.97300 178.5
[M+CH3COO]- 402.98865 184.5
[M+Na-2H]- 364.94947 172.9
[M]+ 343.97425 175.6
[M]- 343.97535 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.