CID 4109672

3-benzyl-4-phenyl-2,5-oxazolidinedione

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

C1=CC=C(C=C1)CN2C(C(=O)OC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO3/c18-15-14(13-9-5-2-6-10-13)17(16(19)20-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2

InChIKey

NXMGMVOZNAQZEE-UHFFFAOYSA-N

Compound name

3-benzyl-4-phenyl-1,3-oxazolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.08954 Da
Monoisotopic Mass: 2.9
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]+	268.096816	158.7
[M+Na]+	290.078758	167.0
[M-H]-	266.082264	168.1
[M+NH4]+	285.123363	173.9
[M+K]+	306.052698	163.9
[M+H-H2O]+	250.086800	150.3
[M+HCOO]-	312.087741	180.5
[M+CH3COO]-	326.103391	171.4
[M+Na-2H]-	288.064206	162.0
[M]+	267.08899142	158.9
[M]-	267.09008858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.