CID 9575423

(2z,5z)-3-(4-ethoxyphenyl)-2-(2-pyridylimino)-5-(4-pyridylmethylene)thiazolidin-4-one

Structural Information

Molecular Formula
C22H18N4O2S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=NC=C3)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C22H18N4O2S/c1-2-28-18-8-6-17(7-9-18)26-21(27)19(15-16-10-13-23-14-11-16)29-22(26)25-20-5-3-4-12-24-20/h3-15H,2H2,1H3/b19-15-,25-22-
InChIKey
IWLHWGCCGRSDGW-CHLWGLGRSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.11505 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12233 196.8
[M+Na]+ 425.10427 205.1
[M-H]- 401.10777 207.1
[M+NH4]+ 420.14887 205.8
[M+K]+ 441.07821 197.4
[M+H-H2O]+ 385.11231 185.2
[M+HCOO]- 447.11325 213.8
[M+CH3COO]- 461.12890 206.1
[M+Na-2H]- 423.08972 196.1
[M]+ 402.11450 198.3
[M]- 402.11560 198.3
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.