CID 9554244

Benzaldehyde, 2-methyl-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene)hydrazone

Structural Information

Molecular Formula
C21H23N3O3S
SMILES
CC1=CC=CC=C1/C=N/N=C/2\N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H23N3O3S/c1-15-6-4-5-7-17(15)13-22-23-21-24(20(25)14-28-21)11-10-16-8-9-18(26-2)19(12-16)27-3/h4-9,12-13H,10-11,14H2,1-3H3/b22-13+,23-21+
InChIKey
VEQDEKQWGMLRPY-OSWVXBLQSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14603 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.153306 195.7
[M+Na]+ 420.135248 203.0
[M-H]- 396.138754 206.9
[M+NH4]+ 415.179853 208.8
[M+K]+ 436.109188 198.0
[M+H-H2O]+ 380.143290 185.7
[M+HCOO]- 442.144231 216.8
[M+CH3COO]- 456.159881 228.7
[M+Na-2H]- 418.120696 194.1
[M]+ 397.14548142 201.6
[M]- 397.14657858 201.6
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.