CID 5860823

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

Structural Information

Molecular Formula
C24H20ClN3O2S2
SMILES
C1CC(OC1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C24H20ClN3O2S2/c25-18-10-8-16(9-11-18)22-17(14-28(26-22)19-5-2-1-3-6-19)13-21-23(29)27(24(31)32-21)15-20-7-4-12-30-20/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2/b21-13-
InChIKey
ZDBCUDWVRHAXEZ-BKUYFWCQSA-N
Compound name
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.06854 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.07582 209.1
[M+Na]+ 504.05776 223.0
[M+NH4]+ 499.10236 216.7
[M+K]+ 520.03170 215.9
[M-H]- 480.06126 217.6
[M+Na-2H]- 502.04321 215.7
[M]+ 481.06799 214.7
[M]- 481.06909 214.7
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.