CID 6242467

624723-97-3

Structural Information

Molecular Formula
C26H24ClN3O2S2
SMILES
COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)Cl
InChI
InChI=1S/C26H24ClN3O2S2/c1-32-22-13-12-17(14-21(22)27)24-18(16-29(28-24)19-8-4-2-5-9-19)15-23-25(31)30(26(33)34-23)20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20H,3,6-7,10-11H2,1H3/b23-15-
InChIKey
STFOIKQNCAETAX-HAHDFKILSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.09985 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.10713 217.2
[M+Na]+ 532.08907 231.6
[M+NH4]+ 527.13367 224.8
[M+K]+ 548.06301 221.7
[M-H]- 508.09257 225.0
[M+Na-2H]- 530.07452 224.7
[M]+ 509.09930 222.7
[M]- 509.10040 222.7
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.