CID 20836368

5-cinnamylidene-2-(phenylimino)-3-(piperidinomethyl)-4-thiazolidinone

Structural Information

Molecular Formula
C24H25N3OS
SMILES
C1CCN(CC1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=NC4=CC=CC=C4
InChI
InChI=1S/C24H25N3OS/c28-23-22(16-10-13-20-11-4-1-5-12-20)29-24(25-21-14-6-2-7-15-21)27(23)19-26-17-8-3-9-18-26/h1-2,4-7,10-16H,3,8-9,17-19H2/b13-10+,22-16+,25-24?
InChIKey
DUAYWFYDRBWXBZ-TYACBJPVSA-N
Compound name
(5E)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.17184 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17912 198.5
[M+Na]+ 426.16106 210.8
[M+NH4]+ 421.20566 206.1
[M+K]+ 442.13500 200.6
[M-H]- 402.16456 205.8
[M+Na-2H]- 424.14651 206.9
[M]+ 403.17129 202.6
[M]- 403.17239 202.6
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.