CID 71726

Tetrantoin

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1CC2(CC3=CC=CC=C31)C(=O)NC(=O)N2

InChI

InChI=1S/C12H12N2O2/c15-10-12(14-11(16)13-10)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,13,14,15,16)

InChIKey

ZWYUGDUPLSGYSK-UHFFFAOYSA-N

Compound name

spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1195
Patents: 216.08987 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]+	217.09715	148.2
[M+Na]+	239.07909	156.2
[M-H]-	215.08259	149.3
[M+NH4]+	234.12369	167.7
[M+K]+	255.05303	150.7
[M+H-H2O]+	199.08713	141.2
[M+HCOO]-	261.08807	163.2
[M+CH3COO]-	275.10372	159.2
[M+Na-2H]-	237.06454	152.8
[M]+	216.08932	141.1
[M]-	216.09042	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe