CID 5920753

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

Structural Information

Molecular Formula
C23H18ClN3O2S2
SMILES
COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4)Cl
InChI
InChI=1S/C23H18ClN3O2S2/c1-3-11-26-22(28)20(31-23(26)30)13-16-14-27(17-7-5-4-6-8-17)25-21(16)15-9-10-19(29-2)18(24)12-15/h3-10,12-14H,1,11H2,2H3/b20-13-
InChIKey
WQUOTTBSPRMISQ-MOSHPQCFSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.0529 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.06018 211.3
[M+Na]+ 490.04212 226.0
[M+NH4]+ 485.08672 218.1
[M+K]+ 506.01606 216.2
[M-H]- 466.04562 216.9
[M+Na-2H]- 488.02757 217.4
[M]+ 467.05235 216.1
[M]- 467.05345 216.1
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.