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]+ 432.119876 204.4
[M+Na]+ 454.101818 214.3
[M-H]- 430.105324 217.7
[M+NH4]+ 449.146423 217.0
[M+K]+ 470.075758 206.4
[M+H-H2O]+ 414.109860 197.5
[M+HCOO]- 476.110801 214.6
[M+CH3COO]- 490.126451 213.8
[M+Na-2H]- 452.087266 193.9
[M]+ 431.11205142 204.1
[M]- 431.11314858 204.1
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.