CID 9575419

(2z,5z)-3-(4-ethoxyphenyl)-5-[(5-methyl-2-furyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C22H19N3O3S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=C(O3)C)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C22H19N3O3S/c1-3-27-17-11-8-16(9-12-17)25-21(26)19(14-18-10-7-15(2)28-18)29-22(25)24-20-6-4-5-13-23-20/h4-14H,3H2,1-2H3/b19-14-,24-22-
InChIKey
CBWMFMIHYGPARL-ZLAFZYNXSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.11472 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12200 198.0
[M+Na]+ 428.10394 207.2
[M-H]- 404.10744 211.4
[M+NH4]+ 423.14854 209.5
[M+K]+ 444.07788 202.2
[M+H-H2O]+ 388.11198 189.1
[M+HCOO]- 450.11292 216.8
[M+CH3COO]- 464.12857 208.8
[M+Na-2H]- 426.08939 194.4
[M]+ 405.11417 202.7
[M]- 405.11527 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.