CID 5909668

623940-37-4

Structural Information

Molecular Formula
C25H23N3OS2
SMILES
C1CCC(CC1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C25H23N3OS2/c29-24-22(31-25(30)28(24)21-14-8-3-9-15-21)16-19-17-27(20-12-6-2-7-13-20)26-23(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15H2/b22-16-
InChIKey
FSFSDDYRURYRBM-JWGURIENSA-N
Compound name
(5Z)-3-cyclohexyl-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

445.12827 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13555 201.2
[M+Na]+ 468.11749 215.0
[M+NH4]+ 463.16209 209.4
[M+K]+ 484.09143 205.5
[M-H]- 444.12099 209.5
[M+Na-2H]- 466.10294 209.9
[M]+ 445.12772 206.5
[M]- 445.12882 206.5
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.