CID 9566910

290839-65-5

Structural Information

Molecular Formula
C25H22ClN3O3S
SMILES
COC1=CC=C(C=C1)CC2C(=O)N(/C(=N\N=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2)CC=C
InChI
InChI=1S/C25H22ClN3O3S/c1-3-14-29-24(30)23(15-17-4-10-20(31-2)11-5-17)33-25(29)28-27-16-21-12-13-22(32-21)18-6-8-19(26)9-7-18/h3-13,16,23H,1,14-15H2,2H3/b27-16+,28-25+
InChIKey
YUFGSGXXJHTMGL-REUZPSCBSA-N
Compound name
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.10703 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.11431 216.8
[M+Na]+ 502.09625 230.3
[M+NH4]+ 497.14085 223.6
[M+K]+ 518.07019 222.3
[M-H]- 478.09975 225.9
[M+Na-2H]- 500.08170 224.2
[M]+ 479.10648 222.0
[M]- 479.10758 222.0
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.