CID 3076759

4,5-imidazolidinedione, 1-(2-(diethylamino)ethyl)-3-phenyl-2-thioxo-, monohydrochloride

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂S

SMILES

CCN(CC)CCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-3-16(4-2)10-11-17-13(19)14(20)18(15(17)21)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

ZOJCPAMJOMANFO-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.1198 Da
Monoisotopic Mass: 2.4
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]+	306.127076	171.3
[M+Na]+	328.109018	179.3
[M-H]-	304.112524	177.0
[M+NH4]+	323.153623	186.7
[M+K]+	344.082958	175.2
[M+H-H2O]+	288.117060	163.1
[M+HCOO]-	350.118001	188.0
[M+CH3COO]-	364.133651	209.1
[M+Na-2H]-	326.094466	168.5
[M]+	305.11925142	174.9
[M]-	305.12034858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.