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 204.4
[M+Na]+ 454.10182 214.3
[M-H]- 430.10532 217.7
[M+NH4]+ 449.14642 217.0
[M+K]+ 470.07576 206.4
[M+H-H2O]+ 414.10986 197.5
[M+HCOO]- 476.11080 214.6
[M+CH3COO]- 490.12645 213.8
[M+Na-2H]- 452.08727 193.9
[M]+ 431.11205 204.1
[M]- 431.11315 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.