CID 279564

1,3-diphenyluretidine-2,4-dione

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)N2C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C14H10N2O2/c17-13-15(11-7-3-1-4-8-11)14(18)16(13)12-9-5-2-6-10-12/h1-10H

InChIKey

ZDIXQAFFNKGCNG-UHFFFAOYSA-N

Compound name

1,3-diphenyl-1,3-diazetidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 238.07423 Da
Monoisotopic Mass: 2.7
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]+	239.081506	147.8
[M+Na]+	261.063448	156.2
[M-H]-	237.066954	154.9
[M+NH4]+	256.108053	156.2
[M+K]+	277.037388	155.0
[M+H-H2O]+	221.071490	133.3
[M+HCOO]-	283.072431	168.4
[M+CH3COO]-	297.088081	194.6
[M+Na-2H]-	259.048896	153.4
[M]+	238.07368142	156.1
[M]-	238.07477858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe