CID 3043420

3-(3-morpholinopropyl)-2-(phenylimino)-4-thiazolidinone

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂S

SMILES

C1COCCN1CCCN2C(=O)CSC2=NC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2S/c20-15-13-22-16(17-14-5-2-1-3-6-14)19(15)8-4-7-18-9-11-21-12-10-18/h1-3,5-6H,4,7-13H2

InChIKey

VHYXCLOASBURTO-UHFFFAOYSA-N

Compound name

3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 319.13544 Da
Monoisotopic Mass: 2.1
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]+	320.142716	174.5
[M+Na]+	342.124658	179.1
[M-H]-	318.128164	182.3
[M+NH4]+	337.169263	187.0
[M+K]+	358.098598	175.9
[M+H-H2O]+	302.132700	165.1
[M+HCOO]-	364.133641	188.4
[M+CH3COO]-	378.149291	184.1
[M+Na-2H]-	340.110106	173.6
[M]+	319.13489142	172.6
[M]-	319.13598858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.