CID 260381

3-anilinorhodanine

Structural Information

Molecular Formula

C₉H₈N₂OS₂

SMILES

C1C(=O)N(C(=S)S1)NC2=CC=CC=C2

InChI

InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)10-7-4-2-1-3-5-7/h1-5,10H,6H2

InChIKey

SNRGCDPTDOAQEQ-UHFFFAOYSA-N

Compound name

3-anilino-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 13
Patents: 224.00781 Da
Monoisotopic Mass: 2.7
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]+	225.01509	145.5
[M+Na]+	246.99703	156.1
[M+NH4]+	242.04163	154.5
[M+K]+	262.97097	147.7
[M-H]-	223.00053	149.2
[M+Na-2H]-	244.98248	151.0
[M]+	224.00726	148.8
[M]-	224.00836	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe