CID 5796824

(5z)-5-[(1,3-diphenyl-1h-pyrazol-4-yl)methylene]-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C24H17N3O2S2
SMILES
C1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)C5=CC=CC=C5
InChI
InChI=1S/C24H17N3O2S2/c28-23-21(31-24(30)26(23)16-20-12-7-13-29-20)14-18-15-27(19-10-5-2-6-11-19)25-22(18)17-8-3-1-4-9-17/h1-15H,16H2/b21-14-
InChIKey
YVTNONDSFJWRGA-STZFKDTASA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.07623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.08351 205.2
[M+Na]+ 466.06545 218.1
[M-H]- 442.06895 220.5
[M+NH4]+ 461.11005 216.3
[M+K]+ 482.03939 211.1
[M+H-H2O]+ 426.07349 199.2
[M+HCOO]- 488.07443 219.0
[M+CH3COO]- 502.09008 216.1
[M+Na-2H]- 464.05090 197.6
[M]+ 443.07568 210.3
[M]- 443.07678 210.3
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.