CID 2143575

(z)-2-(5-((3-(benzofuran-2-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid

Structural Information

Molecular Formula
C23H15N3O4S2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C\5/C(=O)N(C(=S)S5)CC(=O)O
InChI
InChI=1S/C23H15N3O4S2/c27-20(28)13-25-22(29)19(32-23(25)31)11-15-12-26(16-7-2-1-3-8-16)24-21(15)18-10-14-6-4-5-9-17(14)30-18/h1-12H,13H2,(H,27,28)/b19-11-
InChIKey
ALOGGYZHEGISPI-ODLFYWEKSA-N
Compound name
2-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.05038 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.05766 204.4
[M+Na]+ 484.03960 217.6
[M+NH4]+ 479.08420 210.4
[M+K]+ 500.01354 212.9
[M-H]- 460.04310 210.3
[M+Na-2H]- 482.02505 209.5
[M]+ 461.04983 208.8
[M]- 461.05093 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.