CID 3021843

Brn 0800267

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC1C(=O)N(C(=O)O1)CCC2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N2O3/c1-8-11(15)14(12(16)17-8)7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3

InChIKey

CXFTUDNPVWUFGC-UHFFFAOYSA-N

Compound name

3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.10045 Da
Monoisotopic Mass: 1.4
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]+	235.107726	151.4
[M+Na]+	257.089668	160.0
[M-H]-	233.093174	157.5
[M+NH4]+	252.134273	168.2
[M+K]+	273.063608	157.9
[M+H-H2O]+	217.097710	144.3
[M+HCOO]-	279.098651	173.5
[M+CH3COO]-	293.114301	192.8
[M+Na-2H]-	255.075116	153.4
[M]+	234.09990142	151.6
[M]-	234.10099858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe