CID 9570760

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

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N\N=C\C3=CC=CO3)OC
InChI
InChI=1S/C18H19N3O4S/c1-23-15-6-5-13(10-16(15)24-2)7-8-21-17(22)12-26-18(21)20-19-11-14-4-3-9-25-14/h3-6,9-11H,7-8,12H2,1-2H3/b19-11+,20-18-
InChIKey
AEFMDLZEOZFHEQ-IVUIJMHVSA-N
Compound name
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10962 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 188.8
[M+Na]+ 396.09884 198.7
[M+NH4]+ 391.14344 195.0
[M+K]+ 412.07278 194.0
[M-H]- 372.10234 194.9
[M+Na-2H]- 394.08429 194.0
[M]+ 373.10907 192.1
[M]- 373.11017 192.1
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.