CID 120407

N-(morpholinomethyl)phenytoin

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₃

SMILES

C1COCCN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c24-18-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)21-19(25)23(18)15-22-11-13-26-14-12-22/h1-10H,11-15H2,(H,21,25)

InChIKey

FJEONPZKBIRRAN-UHFFFAOYSA-N

Compound name

3-(morpholin-4-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.1583 Da
Monoisotopic Mass: 2.1
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]+	352.165576	184.0
[M+Na]+	374.147518	189.1
[M-H]-	350.151024	191.2
[M+NH4]+	369.192123	193.2
[M+K]+	390.121458	184.2
[M+H-H2O]+	334.155560	172.3
[M+HCOO]-	396.156501	197.0
[M+CH3COO]-	410.172151	192.2
[M+Na-2H]-	372.132966	184.4
[M]+	351.15775142	178.1
[M]-	351.15884858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.