CID 135400196

Brn 1127723

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

CCC(C)(C#C)N=C1NC(=O)C(O1)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2/c1-4-15(3,5-2)17-14-16-13(18)12(19-14)11-9-7-6-8-10-11/h1,6-10,12H,5H2,2-3H3,(H,16,17,18)

InChIKey

ZPWUDIFHKJGJFY-UHFFFAOYSA-N

Compound name

2-(3-methylpent-1-yn-3-ylimino)-5-phenyl-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.1212 Da
Monoisotopic Mass: 2.6
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]+	257.128476	162.5
[M+Na]+	279.110418	171.3
[M-H]-	255.113924	165.5
[M+NH4]+	274.155023	176.0
[M+K]+	295.084358	166.4
[M+H-H2O]+	239.118460	148.8
[M+HCOO]-	301.119401	176.7
[M+CH3COO]-	315.135051	202.5
[M+Na-2H]-	277.095866	164.7
[M]+	256.12065142	155.5
[M]-	256.12174858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.