CID 3006226

Schembl6785358

Structural Information

Molecular Formula
C15H11NOS3
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)C=C3C(=O)NC(=S)S3
InChI
InChI=1S/C15H11NOS3/c1-9-2-4-10(5-3-9)12-7-6-11(19-12)8-13-14(17)16-15(18)20-13/h2-8H,1H3,(H,16,17,18)
InChIKey
XPLGVNDNCGJEJP-UHFFFAOYSA-N
Compound name
5-[[5-(4-methylphenyl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.00027 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00755 171.6
[M+Na]+ 339.98949 183.0
[M-H]- 315.99299 179.1
[M+NH4]+ 335.03409 189.2
[M+K]+ 355.96343 174.0
[M+H-H2O]+ 299.99753 167.3
[M+HCOO]- 361.99847 178.4
[M+CH3COO]- 376.01412 182.5
[M+Na-2H]- 337.97494 165.9
[M]+ 316.99972 171.0
[M]- 317.00082 171.0
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