CID 169847

37021-14-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

CCN1C(=O)CN(C1=S)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2OS/c1-2-12-10(14)8-13(11(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

UYPCZQJGNPASBR-UHFFFAOYSA-N

Compound name

3-ethyl-1-phenyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 60
Patents: 220.06703 Da
Monoisotopic Mass: 1.8
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]+	221.074306	147.7
[M+Na]+	243.056248	157.5
[M-H]-	219.059754	152.4
[M+NH4]+	238.100853	166.3
[M+K]+	259.030188	153.3
[M+H-H2O]+	203.064290	140.7
[M+HCOO]-	265.065231	164.0
[M+CH3COO]-	279.080881	186.5
[M+Na-2H]-	241.041696	147.3
[M]+	220.06648142	148.4
[M]-	220.06757858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe