CID 949912

1-benzoyl-2-thiohydantoin

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1C(=O)NC(=S)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)

InChIKey

YTMVOQHVLQJLML-UHFFFAOYSA-N

Compound name

1-benzoyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 220.03065 Da
Monoisotopic Mass: 1.2
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]+	221.03793	147.1
[M+Na]+	243.01987	155.9
[M-H]-	219.02337	150.4
[M+NH4]+	238.06447	164.5
[M+K]+	258.99381	151.4
[M+H-H2O]+	203.02791	140.4
[M+HCOO]-	265.02885	161.7
[M+CH3COO]-	279.04450	181.2
[M+Na-2H]-	241.00532	146.5
[M]+	220.03010	145.2
[M]-	220.03120	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe