CID 3076761

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

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂S

SMILES

CCN(CC)CCCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-3-17(4-2)11-8-12-18-14(20)15(21)19(16(18)22)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3

InChIKey

WRCCFPHHDUREPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.13544 Da
Monoisotopic Mass: 2.8
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	175.6
[M+Na]+	342.124658	183.2
[M-H]-	318.128164	181.1
[M+NH4]+	337.169263	190.4
[M+K]+	358.098598	178.8
[M+H-H2O]+	302.132700	167.2
[M+HCOO]-	364.133641	192.0
[M+CH3COO]-	378.149291	212.1
[M+Na-2H]-	340.110106	172.4
[M]+	319.13489142	179.6
[M]-	319.13598858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.