CID 20836362

3-((diethylamino)methyl)-5-cinnamylidene-2-(phenylimino)-4-thiazolidinone

Structural Information

Molecular Formula

C₂₃H₂₅N₃OS

SMILES

CCN(CC)CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3

InChI

InChI=1S/C23H25N3OS/c1-3-25(4-2)18-26-22(27)21(17-11-14-19-12-7-5-8-13-19)28-23(26)24-20-15-9-6-10-16-20/h5-17H,3-4,18H2,1-2H3/b14-11+,21-17+,24-23?

InChIKey

GZQPXGLXBBLWSW-NDXGJEFKSA-N

Compound name

(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.17184 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	392.179116	197.7
[M+Na]+	414.161058	203.0
[M-H]-	390.164564	208.0
[M+NH4]+	409.205663	210.6
[M+K]+	430.134998	196.2
[M+H-H2O]+	374.169100	187.5
[M+HCOO]-	436.170041	217.0
[M+CH3COO]-	450.185691	227.4
[M+Na-2H]-	412.146506	195.0
[M]+	391.17129142	199.4
[M]-	391.17238858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.