CID 5940863

(5z)-5-{[1-phenyl-3-(2-thienyl)-1h-pyrazol-4-yl]methylene}-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C22H19N3O2S3
SMILES
C1CC(OC1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C22H19N3O2S3/c26-21-19(30-22(28)24(21)14-17-8-4-10-27-17)12-15-13-25(16-6-2-1-3-7-16)23-20(15)18-9-5-11-29-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2/b19-12-
InChIKey
IIMIBDHAXBJHIW-UNOMPAQXSA-N
Compound name
(5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.06393 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.07121 197.4
[M+Na]+ 476.05315 209.0
[M+NH4]+ 471.09775 205.1
[M+K]+ 492.02709 203.3
[M-H]- 452.05665 205.4
[M+Na-2H]- 474.03860 203.0
[M]+ 453.06338 202.6
[M]- 453.06448 202.6
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.