CID 135400195

Brn 0991313

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C14H14N2O2/c1-4-14(2,3)16-13-15-12(17)11(18-13)10-8-6-5-7-9-10/h1,5-9,11H,2-3H3,(H,15,16,17)

InChIKey

YRCKMRPUIXMLIR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.10553 Da
Monoisotopic Mass: 2.1
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]+	243.112806	158.5
[M+Na]+	265.094748	167.7
[M-H]-	241.098254	161.8
[M+NH4]+	260.139353	172.6
[M+K]+	281.068688	163.1
[M+H-H2O]+	225.102790	145.0
[M+HCOO]-	287.103731	173.0
[M+CH3COO]-	301.119381	199.8
[M+Na-2H]-	263.080196	161.2
[M]+	242.10498142	151.3
[M]-	242.10607858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe