CID 6289616

624724-35-2

Structural Information

Molecular Formula
C25H22ClN3O2S2
SMILES
COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)Cl
InChI
InChI=1S/C25H22ClN3O2S2/c1-31-21-12-11-16(13-20(21)26)23-17(15-28(27-23)18-7-3-2-4-8-18)14-22-24(30)29(25(32)33-22)19-9-5-6-10-19/h2-4,7-8,11-15,19H,5-6,9-10H2,1H3/b22-14-
InChIKey
JQHZXLSVOJGAEU-HMAPJEAMSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.0842 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.09148 214.5
[M+Na]+ 518.07342 228.1
[M+NH4]+ 513.11802 222.1
[M+K]+ 534.04736 220.6
[M-H]- 494.07692 221.9
[M+Na-2H]- 516.05887 221.3
[M]+ 495.08365 219.7
[M]- 495.08475 219.7
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.