CID 9570614

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

Structural Information

Molecular Formula
C21H23N3O4S
SMILES
COC1=CC=C(C=C1)/C=N\N=C\2/N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H23N3O4S/c1-26-17-7-4-16(5-8-17)13-22-23-21-24(20(25)14-29-21)11-10-15-6-9-18(27-2)19(12-15)28-3/h4-9,12-13H,10-11,14H2,1-3H3/b22-13-,23-21+
InChIKey
MBEGIIAGBXCSOL-HAVYBMPNSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.14093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14821 198.4
[M+Na]+ 436.13015 205.3
[M-H]- 412.13365 209.6
[M+NH4]+ 431.17475 210.6
[M+K]+ 452.10409 201.0
[M+H-H2O]+ 396.13819 188.3
[M+HCOO]- 458.13913 219.7
[M+CH3COO]- 472.15478 230.9
[M+Na-2H]- 434.11560 197.1
[M]+ 413.14038 205.6
[M]- 413.14148 205.6
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.