CID 14449732

127563-31-9

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

COC(=O)C(=O)NC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C15H13NO3/c1-19-15(18)14(17)16-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)

InChIKey

SYHPWRDYWAISOY-UHFFFAOYSA-N

Compound name

methyl 2-oxo-2-(2-phenylanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 255.08954 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]+	256.09682	156.9
[M+Na]+	278.07876	163.2
[M-H]-	254.08226	163.7
[M+NH4]+	273.12336	173.1
[M+K]+	294.05270	160.6
[M+H-H2O]+	238.08680	149.1
[M+HCOO]-	300.08774	181.1
[M+CH3COO]-	314.10339	195.3
[M+Na-2H]-	276.06421	161.7
[M]+	255.08899	157.4
[M]-	255.09009	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe