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]+ 404.179116 199.7
[M+Na]+ 426.161058 203.7
[M-H]- 402.164564 209.3
[M+NH4]+ 421.205663 209.6
[M+K]+ 442.134998 195.4
[M+H-H2O]+ 386.169100 188.4
[M+HCOO]- 448.170041 213.2
[M+CH3COO]- 462.185691 207.2
[M+Na-2H]- 424.146506 195.7
[M]+ 403.17129142 194.8
[M]- 403.17238858 194.8
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.