CID 5927782

Salor-int l438952-1ea

Structural Information

Molecular Formula
C29H23ClFN3O2S2
SMILES
CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)C5=CC=CC=C5)F
InChI
InChI=1S/C29H23ClFN3O2S2/c1-2-14-36-25-13-12-19(15-24(25)31)27-21(18-34(32-27)22-9-4-3-5-10-22)16-26-28(35)33(29(37)38-26)17-20-8-6-7-11-23(20)30/h3-13,15-16,18H,2,14,17H2,1H3/b26-16-
InChIKey
NLWRFRGTXTXHJY-QQXSKIMKSA-N
Compound name
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-(3-fluoro-4-propoxyphenyl)-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

563.09045 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.09773 233.9
[M+Na]+ 586.07967 249.3
[M+NH4]+ 581.12427 240.1
[M+K]+ 602.05361 238.4
[M-H]- 562.08317 240.7
[M+Na-2H]- 584.06512 241.5
[M]+ 563.08990 239.2
[M]- 563.09100 239.2
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

No patent data available for this compound.