CID 9575420

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

Structural Information

Molecular Formula
C21H17N3O2S2
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=CS3)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C21H17N3O2S2/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
SRBPTQIQAWEPAM-SMNSWUKCSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.07623 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08351 196.6
[M+Na]+ 430.06545 206.4
[M-H]- 406.06895 208.9
[M+NH4]+ 425.11005 209.8
[M+K]+ 446.03939 199.0
[M+H-H2O]+ 390.07349 188.6
[M+HCOO]- 452.07443 211.5
[M+CH3COO]- 466.09008 207.0
[M+Na-2H]- 428.05090 192.5
[M]+ 407.07568 200.1
[M]- 407.07678 200.1
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.