CID 3006224

Schembl6789051

Structural Information

Molecular Formula
C12H7NOS4
SMILES
C1=CSC(=C1)C2=CC=C(S2)C=C3C(=O)NC(=S)S3
InChI
InChI=1S/C12H7NOS4/c14-11-10(18-12(15)13-11)6-7-3-4-9(17-7)8-2-1-5-16-8/h1-6H,(H,13,14,15)
InChIKey
OFWADGOJEMSXMK-UHFFFAOYSA-N
Compound name
2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.94104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.94832 172.3
[M+Na]+ 331.93026 186.2
[M-H]- 307.93376 180.0
[M+NH4]+ 326.97486 191.6
[M+K]+ 347.90420 177.2
[M+H-H2O]+ 291.93830 170.0
[M+HCOO]- 353.93924 176.9
[M+CH3COO]- 367.95489 183.5
[M+Na-2H]- 329.91571 166.7
[M]+ 308.94049 171.8
[M]- 308.94159 171.8
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

patents stripe