CID 1567499

130685-96-0

Structural Information

Molecular Formula
C15H11NOS3
SMILES
CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S
InChI
InChI=1S/C15H11NOS3/c1-10-4-2-5-11(8-10)16-14(17)13(20-15(16)18)9-12-6-3-7-19-12/h2-9H,1H3/b13-9-
InChIKey
SDLCMABJCLRFDX-LCYFTJDESA-N
Compound name
(5Z)-3-(3-methylphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00027 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00755 169.5
[M+Na]+ 339.98949 181.1
[M+NH4]+ 335.03409 178.7
[M+K]+ 355.96343 171.3
[M-H]- 315.99299 174.7
[M+Na-2H]- 337.97494 174.4
[M]+ 316.99972 174.0
[M]- 317.00082 174.0
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

No patent data available for this compound.