CID 2139117

624724-50-1

Structural Information

Molecular Formula
C24H23N3O2S2
SMILES
CCOCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H23N3O2S2/c1-2-29-15-9-14-26-23(28)21(31-24(26)30)16-19-17-27(20-12-7-4-8-13-20)25-22(19)18-10-5-3-6-11-18/h3-8,10-13,16-17H,2,9,14-15H2,1H3/b21-16-
InChIKey
GPPVVTOTOPATDR-PGMHBOJBSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.12317 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13045 206.2
[M+Na]+ 472.11239 219.4
[M+NH4]+ 467.15699 213.0
[M+K]+ 488.08633 210.2
[M-H]- 448.11589 211.9
[M+Na-2H]- 470.09784 212.9
[M]+ 449.12262 210.6
[M]- 449.12372 210.6
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.