CID 3063771

5,5-diphenyl-3-(1-(pyrrolidinyl)ethyl)hydantoin hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₃N₃O₂

SMILES

CC(N1CCCC1)N2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c1-16(23-14-8-9-15-23)24-19(25)21(22-20(24)26,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,22,26)

InChIKey

PNKLMMFKFYGUHQ-UHFFFAOYSA-N

Compound name

5,5-diphenyl-3-(1-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.17902 Da
Monoisotopic Mass: 3.4
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]+	350.186296	184.0
[M+Na]+	372.168238	189.0
[M-H]-	348.171744	191.4
[M+NH4]+	367.212843	196.7
[M+K]+	388.142178	183.2
[M+H-H2O]+	332.176280	173.4
[M+HCOO]-	394.177221	198.9
[M+CH3COO]-	408.192871	192.6
[M+Na-2H]-	370.153686	180.5
[M]+	349.17847142	178.3
[M]-	349.17956858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.