CID 58727622

910780-69-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂OS

SMILES

C1CCS(=NC2=CC=C(C=C2)N)(=O)C1

InChI

InChI=1S/C10H14N2OS/c11-9-3-5-10(6-4-9)12-14(13)7-1-2-8-14/h3-6H,1-2,7-8,11H2

InChIKey

NCOUMPRRXNKGBV-UHFFFAOYSA-N

Compound name

4-[(1-oxothiolan-1-ylidene)amino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.08269 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]+	211.08997	142.9
[M+Na]+	233.07191	150.8
[M-H]-	209.07541	150.7
[M+NH4]+	228.11651	165.8
[M+K]+	249.04585	147.4
[M+H-H2O]+	193.07995	136.8
[M+HCOO]-	255.08089	164.8
[M+CH3COO]-	269.09654	186.5
[M+Na-2H]-	231.05736	146.6
[M]+	210.08214	141.1
[M]-	210.08324	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe