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 172.6
[M+Na]+ 339.98949 183.9
[M-H]- 315.99299 181.3
[M+NH4]+ 335.03409 190.7
[M+K]+ 355.96343 175.9
[M+H-H2O]+ 299.99753 167.8
[M+HCOO]- 361.99847 181.0
[M+CH3COO]- 376.01412 183.9
[M+Na-2H]- 337.97494 167.6
[M]+ 316.99972 173.3
[M]- 317.00082 173.3
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.