CID 9575425

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

Structural Information

Molecular Formula
C24H21N3O2S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=C(C=C3)C)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C24H21N3O2S/c1-3-29-20-13-11-19(12-14-20)27-23(28)21(16-18-9-7-17(2)8-10-18)30-24(27)26-22-6-4-5-15-25-22/h4-16H,3H2,1-2H3/b21-16-,26-24-
InChIKey
GJRPUXHYOYYEDW-XZXOCULKSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.13544 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14272 202.0
[M+Na]+ 438.12466 210.2
[M-H]- 414.12816 213.7
[M+NH4]+ 433.16926 212.2
[M+K]+ 454.09860 202.5
[M+H-H2O]+ 398.13270 191.0
[M+HCOO]- 460.13364 219.6
[M+CH3COO]- 474.14929 211.5
[M+Na-2H]- 436.11011 199.7
[M]+ 415.13489 204.2
[M]- 415.13599 204.2
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.