CID 5761572

(2e)-3-allyl-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidine-2,4-dione 2-{[(e)-1-(4-fluorophenyl)ethylidene]hydrazone}

Structural Information

Molecular Formula
C22H19F4N3OS
SMILES
C/C(=N\N=C\1/N(C(=O)C(S1)CC2=CC(=CC=C2)C(F)(F)F)CC=C)/C3=CC=C(C=C3)F
InChI
InChI=1S/C22H19F4N3OS/c1-3-11-29-20(30)19(13-15-5-4-6-17(12-15)22(24,25)26)31-21(29)28-27-14(2)16-7-9-18(23)10-8-16/h3-10,12,19H,1,11,13H2,2H3/b27-14+,28-21+
InChIKey
QEDZPCJTDQBXSY-SDKHQLOPSA-N
Compound name
(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1185 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12578 205.0
[M+Na]+ 472.10772 212.7
[M-H]- 448.11122 210.7
[M+NH4]+ 467.15232 215.7
[M+K]+ 488.08166 204.9
[M+H-H2O]+ 432.11576 192.0
[M+HCOO]- 494.11670 218.6
[M+CH3COO]- 508.13235 237.8
[M+Na-2H]- 470.09317 200.2
[M]+ 449.11795 202.4
[M]- 449.11905 202.4
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.