CID 2738122

71066-97-2

Structural Information

Molecular Formula

C₁₇H₁₅NO₄

SMILES

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

InChI

InChI=1S/C17H15NO4/c1-2-21-17(20)22-18-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChIKey

OCLNYWSLIPQUJX-UHFFFAOYSA-N

Compound name

ethyl [(2-oxo-1,2-diphenylethylidene)amino] carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 297.1001 Da
Monoisotopic Mass: 4.0
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]+	298.107376	168.2
[M+Na]+	320.089318	172.9
[M-H]-	296.092824	175.6
[M+NH4]+	315.133923	182.7
[M+K]+	336.063258	171.3
[M+H-H2O]+	280.097360	159.3
[M+HCOO]-	342.098301	192.5
[M+CH3COO]-	356.113951	204.8
[M+Na-2H]-	318.074766	171.9
[M]+	297.09955142	170.9
[M]-	297.10064858	170.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.