CID 73826

Ethyl oxanilate

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)

InChIKey

YDGAUBHNAKCSKF-UHFFFAOYSA-N

Compound name

ethyl 2-anilino-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 188
Patents: 193.0739 Da
Monoisotopic Mass: 1.5
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]+	194.081176	140.9
[M+Na]+	216.063118	147.2
[M-H]-	192.066624	144.5
[M+NH4]+	211.107723	159.9
[M+K]+	232.037058	146.4
[M+H-H2O]+	176.071160	134.5
[M+HCOO]-	238.072101	165.3
[M+CH3COO]-	252.087751	183.2
[M+Na-2H]-	214.048566	146.4
[M]+	193.07335142	141.8
[M]-	193.07444858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe