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 221.5
[M+Na]+ 502.09625 230.4
[M-H]- 478.09975 237.0
[M+NH4]+ 497.14085 232.6
[M+K]+ 518.07019 223.8
[M+H-H2O]+ 462.10429 212.6
[M+HCOO]- 524.10523 238.2
[M+CH3COO]- 538.12088 231.4
[M+Na-2H]- 500.08170 216.4
[M]+ 479.10648 229.7
[M]- 479.10758 229.7
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.