CID 5531950

5-((5-(3-nitrophenyl)-2-furyl)methylene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C20H12N2O4S2
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/SC2=S
InChI
InChI=1S/C20H12N2O4S2/c23-19-18(28-20(27)21(19)14-6-2-1-3-7-14)12-16-9-10-17(26-16)13-5-4-8-15(11-13)22(24)25/h1-12H/b18-12+
InChIKey
OUVKDNSZSHZDQN-LDADJPATSA-N
Compound name
(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.02383 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03111 197.6
[M+Na]+ 431.01305 205.5
[M-H]- 407.01655 210.6
[M+NH4]+ 426.05765 208.8
[M+K]+ 446.98699 195.2
[M+H-H2O]+ 391.02109 195.1
[M+HCOO]- 453.02203 211.2
[M+CH3COO]- 467.03768 211.5
[M+Na-2H]- 428.99850 195.5
[M]+ 408.02328 197.2
[M]- 408.02438 197.2
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

patents stripe