CID 6448048

3-((dimethylamino)methyl)-2-((4-methylphenyl)imino)-5-(phenylmethylene)-4-thiazolidinone

Structural Information

Molecular Formula

C₂₀H₂₁N₃OS

SMILES

CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=CC=C3)/S2)CN(C)C

InChI

InChI=1S/C20H21N3OS/c1-15-9-11-17(12-10-15)21-20-23(14-22(2)3)19(24)18(25-20)13-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3/b18-13+,21-20?

InChIKey

VCVRKCFQQTVAAM-ORZNGPHRSA-N

Compound name

(5E)-5-benzylidene-3-[(dimethylamino)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.14053 Da
Monoisotopic Mass: 4.7
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]+	352.147806	185.3
[M+Na]+	374.129748	192.5
[M-H]-	350.133254	196.5
[M+NH4]+	369.174353	200.2
[M+K]+	390.103688	187.0
[M+H-H2O]+	334.137790	175.9
[M+HCOO]-	396.138731	205.4
[M+CH3COO]-	410.154381	221.2
[M+Na-2H]-	372.115196	183.4
[M]+	351.13998142	187.2
[M]-	351.14107858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.