CID 5928749

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

Structural Information

Molecular Formula
C26H17F2N3OS2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F
InChI
InChI=1S/C26H17F2N3OS2/c27-20-10-6-17(7-11-20)15-30-25(32)23(34-26(30)33)14-19-16-31(22-4-2-1-3-5-22)29-24(19)18-8-12-21(28)13-9-18/h1-14,16H,15H2/b23-14-
InChIKey
TVBVWFFYHNJMSV-UCQKPKSFSA-N
Compound name
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.07812 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.08540 214.7
[M+Na]+ 512.06734 226.8
[M-H]- 488.07084 225.4
[M+NH4]+ 507.11194 223.1
[M+K]+ 528.04128 215.6
[M+H-H2O]+ 472.07538 204.4
[M+HCOO]- 534.07632 223.4
[M+CH3COO]- 548.09197 223.0
[M+Na-2H]- 510.05279 205.7
[M]+ 489.07757 215.0
[M]- 489.07867 215.0
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.