CID 3870362

69300-50-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

C1CC2=C(C=CS2)C3(C1)C(=O)NC(=O)N3

InChI

InChI=1S/C10H10N2O2S/c13-8-10(12-9(14)11-8)4-1-2-7-6(10)3-5-15-7/h3,5H,1-2,4H2,(H2,11,12,13,14)

InChIKey

CWFRYKWJIHQOFY-UHFFFAOYSA-N

Compound name

spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 222.0463 Da
Monoisotopic Mass: 0.9
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]+	223.053576	148.2
[M+Na]+	245.035518	157.6
[M-H]-	221.039024	150.0
[M+NH4]+	240.080123	170.2
[M+K]+	261.009458	152.8
[M+H-H2O]+	205.043560	143.5
[M+HCOO]-	267.044501	160.1
[M+CH3COO]-	281.060151	159.9
[M+Na-2H]-	243.020966	148.9
[M]+	222.04575142	144.4
[M]-	222.04684858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe