CID 16429047

623936-13-0

Structural Information

Molecular Formula
C22H18FN3OS2
SMILES
CCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H18FN3OS2/c1-3-25-21(27)19(29-22(25)28)12-16-13-26(17-7-5-4-6-8-17)24-20(16)15-10-9-14(2)18(23)11-15/h4-13H,3H2,1-2H3/b19-12-
InChIKey
WAAQORLUKJWQFS-UNOMPAQXSA-N
Compound name
(5Z)-3-ethyl-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.08752 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09480 201.9
[M+Na]+ 446.07674 215.4
[M+NH4]+ 441.12134 208.6
[M+K]+ 462.05068 206.4
[M-H]- 422.08024 206.6
[M+Na-2H]- 444.06219 207.8
[M]+ 423.08697 206.0
[M]- 423.08807 206.0
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.