CID 3046898

5-(o-phenylbenzyl)-2-oxazolidone

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

C1C(OC(=O)N1)CC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C16H15NO2/c18-16-17-11-14(19-16)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,17,18)

InChIKey

HMVMYZNQDAULCR-UHFFFAOYSA-N

Compound name

5-[(2-phenylphenyl)methyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.11028 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]+	254.117556	156.9
[M+Na]+	276.099498	163.6
[M-H]-	252.103004	164.5
[M+NH4]+	271.144103	171.8
[M+K]+	292.073438	159.6
[M+H-H2O]+	236.107540	148.7
[M+HCOO]-	298.108481	176.8
[M+CH3COO]-	312.124131	168.6
[M+Na-2H]-	274.084946	160.4
[M]+	253.10973142	154.2
[M]-	253.11082858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe