CID 211833

23598-58-5

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

C#CCOCC1CN(C(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-2-13-23-15-18-14-21(20(22)24-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18-19H,13-15H2

InChIKey

CFZHWUKHPOMYNW-UHFFFAOYSA-N

Compound name

3-benzhydryl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 3.1
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]+	322.143776	176.1
[M+Na]+	344.125718	184.4
[M-H]-	320.129224	180.9
[M+NH4]+	339.170323	186.7
[M+K]+	360.099658	177.7
[M+H-H2O]+	304.133760	160.5
[M+HCOO]-	366.134701	189.5
[M+CH3COO]-	380.150351	211.3
[M+Na-2H]-	342.111166	175.6
[M]+	321.13595142	170.7
[M]-	321.13704858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.