CID 1722569

324565-30-2

Structural Information

Molecular Formula
C15H11NOS3
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=S
InChI
InChI=1S/C15H11NOS3/c17-14-13(9-12-7-4-8-19-12)20-15(18)16(14)10-11-5-2-1-3-6-11/h1-9H,10H2/b13-9+
InChIKey
XZFUWESAUXPVMY-UKTHLTGXSA-N
Compound name
(5E)-3-benzyl-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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00755 168.4
[M+Na]+ 339.98949 179.7
[M+NH4]+ 335.03409 177.7
[M+K]+ 355.96343 169.7
[M-H]- 315.99299 173.5
[M+Na-2H]- 337.97494 173.6
[M]+ 316.99972 172.8
[M]- 317.00082 172.8
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

No patent data available for this compound.