CID 2871911

4332-97-2

Structural Information

Molecular Formula

C₁₆H₁₄N₂OS

SMILES

C1=CC=C(C=C1)CC2C(=O)N(C(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)

InChIKey

HIDCDSHFIITFOM-UHFFFAOYSA-N

Compound name

5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 23
Patents: 282.08267 Da
Monoisotopic Mass: 3.3
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]+	283.089946	164.6
[M+Na]+	305.071888	173.3
[M-H]-	281.075394	170.8
[M+NH4]+	300.116493	179.5
[M+K]+	321.045828	166.2
[M+H-H2O]+	265.079930	156.4
[M+HCOO]-	327.080871	179.4
[M+CH3COO]-	341.096521	175.6
[M+Na-2H]-	303.057336	163.7
[M]+	282.08212142	162.6
[M]-	282.08321858	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe