CID 9575441

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

Structural Information

Molecular Formula
C25H24N4O2S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C25H24N4O2S/c1-4-31-21-14-12-20(13-15-21)29-24(30)22(17-18-8-10-19(11-9-18)28(2)3)32-25(29)27-23-7-5-6-16-26-23/h5-17H,4H2,1-3H3/b22-17-,27-25-
InChIKey
BIVCQDBDLZQHQX-ZRGSSMLNSA-N
Compound name
(2Z,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16928 209.4
[M+Na]+ 467.15122 216.1
[M-H]- 443.15472 222.1
[M+NH4]+ 462.19582 218.5
[M+K]+ 483.12516 209.5
[M+H-H2O]+ 427.15926 197.7
[M+HCOO]- 489.16020 227.9
[M+CH3COO]- 503.17585 218.3
[M+Na-2H]- 465.13667 207.0
[M]+ 444.16145 212.4
[M]- 444.16255 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.