CID 16428514

290839-64-4

Structural Information

Molecular Formula
C25H22ClN3O2S
SMILES
CC1=CC(=CC=C1)CC2C(=O)N(/C(=N\N=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2)CC=C
InChI
InChI=1S/C25H22ClN3O2S/c1-3-13-29-24(30)23(15-18-6-4-5-17(2)14-18)32-25(29)28-27-16-21-11-12-22(31-21)19-7-9-20(26)10-8-19/h3-12,14,16,23H,1,13,15H2,2H3/b27-16+,28-25+
InChIKey
IKTNOVZCHNNHBN-REUZPSCBSA-N
Compound name
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.11212 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.11940 219.1
[M+Na]+ 486.10134 228.4
[M-H]- 462.10484 234.5
[M+NH4]+ 481.14594 230.9
[M+K]+ 502.07528 221.0
[M+H-H2O]+ 446.10938 210.2
[M+HCOO]- 508.11032 235.6
[M+CH3COO]- 522.12597 229.1
[M+Na-2H]- 484.08679 213.6
[M]+ 463.11157 225.9
[M]- 463.11267 225.9
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.