CID 92334

51169-17-6

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-11-7-9-13(10-8-11)16(12-5-3-2-4-6-12)14(19)17-15(20)18-16/h2-10H,1H3,(H2,17,18,19,20)

InChIKey

WPAPSGQWYNPWCZ-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 116
Patents: 266.10553 Da
Monoisotopic Mass: 2.8
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]+	267.112806	161.0
[M+Na]+	289.094748	169.4
[M-H]-	265.098254	166.1
[M+NH4]+	284.139353	176.9
[M+K]+	305.068688	163.0
[M+H-H2O]+	249.102790	152.7
[M+HCOO]-	311.103731	179.3
[M+CH3COO]-	325.119381	172.1
[M+Na-2H]-	287.080196	163.8
[M]+	266.10498142	156.5
[M]-	266.10607858	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe