CID 5940891

623936-36-7

Structural Information

Molecular Formula
C32H30FN3O4S2
SMILES
CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)F
InChI
InChI=1S/C32H30FN3O4S2/c1-4-16-40-26-13-11-22(18-25(26)33)30-23(20-36(34-30)24-8-6-5-7-9-24)19-29-31(37)35(32(41)42-29)15-14-21-10-12-27(38-2)28(17-21)39-3/h5-13,17-20H,4,14-16H2,1-3H3/b29-19-
InChIKey
LJJMEZHXLXDQTN-CEUNXORHSA-N
Compound name
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-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

603.1662 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.17348 247.7
[M+Na]+ 626.15542 260.9
[M+NH4]+ 621.20002 252.0
[M+K]+ 642.12936 251.5
[M-H]- 602.15892 253.5
[M+Na-2H]- 624.14087 253.7
[M]+ 603.16565 252.1
[M]- 603.16675 252.1
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.