CID 5941955

623940-42-1

Structural Information

Molecular Formula
C24H21N3OS2
SMILES
C1CCC(C1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C24H21N3OS2/c28-23-21(30-24(29)27(23)20-13-7-8-14-20)15-18-16-26(19-11-5-2-6-12-19)25-22(18)17-9-3-1-4-10-17/h1-6,9-12,15-16,20H,7-8,13-14H2/b21-15-
InChIKey
JADPIPLSPVBREE-QNGOZBTKSA-N
Compound name
(5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1126 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11988 198.7
[M+Na]+ 454.10182 211.6
[M+NH4]+ 449.14642 206.8
[M+K]+ 470.07576 204.4
[M-H]- 430.10532 206.4
[M+Na-2H]- 452.08727 206.6
[M]+ 431.11205 203.6
[M]- 431.11315 203.6
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.