CID 9575418

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

Structural Information

Molecular Formula
C21H17N3O3S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=CO3)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C21H17N3O3S/c1-2-26-16-10-8-15(9-11-16)24-20(25)18(14-17-6-5-13-27-17)28-21(24)23-19-7-3-4-12-22-19/h3-14H,2H2,1H3/b18-14-,23-21-
InChIKey
RCFBJVGHYNMJBQ-SMNSWUKCSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.09906 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10634 193.1
[M+Na]+ 414.08828 202.0
[M-H]- 390.09178 206.3
[M+NH4]+ 409.13288 204.9
[M+K]+ 430.06222 197.2
[M+H-H2O]+ 374.09632 184.1
[M+HCOO]- 436.09726 212.3
[M+CH3COO]- 450.11291 204.1
[M+Na-2H]- 412.07373 190.7
[M]+ 391.09851 197.1
[M]- 391.09961 197.1
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.