CID 4102623

24439-51-8

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCOC(=O)C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3/c1-2-20-16(19)15(18)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)

InChIKey

HMIWWSHLCQTVJN-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-(4-phenylanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.1052 Da
Monoisotopic Mass: 3.1
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]+	270.11248	161.6
[M+Na]+	292.09442	167.4
[M-H]-	268.09792	168.2
[M+NH4]+	287.13902	177.2
[M+K]+	308.06836	164.6
[M+H-H2O]+	252.10246	153.5
[M+HCOO]-	314.10340	185.4
[M+CH3COO]-	328.11905	198.3
[M+Na-2H]-	290.07987	165.8
[M]+	269.10465	162.4
[M]-	269.10575	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe