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]+ 318.007546 172.6
[M+Na]+ 339.989488 183.9
[M-H]- 315.992994 181.3
[M+NH4]+ 335.034093 190.7
[M+K]+ 355.963428 175.9
[M+H-H2O]+ 299.997530 167.8
[M+HCOO]- 361.998471 181.0
[M+CH3COO]- 376.014121 183.9
[M+Na-2H]- 337.974936 167.6
[M]+ 316.99972142 173.3
[M]- 317.00081858 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.