CID 135473374

292052-35-8

Structural Information

Molecular Formula
C22H18ClN3O2S
SMILES
CC1=CC(=CC=C1)CC2C(=O)N/C(=N\N=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2
InChI
InChI=1S/C22H18ClN3O2S/c1-14-3-2-4-15(11-14)12-20-21(27)25-22(29-20)26-24-13-18-9-10-19(28-18)16-5-7-17(23)8-6-16/h2-11,13,20H,12H2,1H3,(H,25,26,27)/b24-13+
InChIKey
YYWTYNQDBUNMIJ-ZMOGYAJESA-N
Compound name
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0808 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08808 201.1
[M+Na]+ 446.07002 214.8
[M+NH4]+ 441.11462 209.0
[M+K]+ 462.04396 207.2
[M-H]- 422.07352 210.5
[M+Na-2H]- 444.05547 209.4
[M]+ 423.08025 206.4
[M]- 423.08135 206.4
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.