CID 5942162

623940-41-0

Structural Information

Molecular Formula
C22H17N3OS2
SMILES
C=CCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H17N3OS2/c1-2-13-24-21(26)19(28-22(24)27)14-17-15-25(18-11-7-4-8-12-18)23-20(17)16-9-5-3-6-10-16/h2-12,14-15H,1,13H2/b19-14-
InChIKey
VOMOTTVJAGGBBZ-RGEXLXHISA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0813 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08858 194.7
[M+Na]+ 426.07052 208.8
[M+NH4]+ 421.11512 202.1
[M+K]+ 442.04446 199.4
[M-H]- 402.07402 200.7
[M+Na-2H]- 424.05597 202.1
[M]+ 403.08075 199.3
[M]- 403.08185 199.3
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.