CID 68936

Methastyridone

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CC1(NC(=O)C(O1)C=CC2=CC=CC=C2)C

InChI

InChI=1S/C13H15NO2/c1-13(2)14-12(15)11(16-13)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,15)

InChIKey

VEZXEOWXHFHYHC-UHFFFAOYSA-N

Compound name

2,2-dimethyl-5-(2-phenylethenyl)-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 217.11028 Da
Monoisotopic Mass: 2.3
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]+	218.117556	148.0
[M+Na]+	240.099498	156.1
[M-H]-	216.103004	152.8
[M+NH4]+	235.144103	167.1
[M+K]+	256.073438	153.0
[M+H-H2O]+	200.107540	141.9
[M+HCOO]-	262.108481	167.8
[M+CH3COO]-	276.124131	183.2
[M+Na-2H]-	238.084946	152.2
[M]+	217.10973142	146.4
[M]-	217.11082858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe