CID 43000

Coumarin, 3-amino-4-anilino-

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C15H12N2O2/c16-13-14(17-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)18/h1-9,17H,16H2

InChIKey

ULHWIGAMNYDVGS-UHFFFAOYSA-N

Compound name

3-amino-4-anilinochromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 2.7
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]+	253.09715	155.4
[M+Na]+	275.07909	170.9
[M+NH4]+	270.12369	164.5
[M+K]+	291.05303	163.1
[M-H]-	251.08259	163.3
[M+Na-2H]-	273.06454	164.9
[M]+	252.08932	159.9
[M]-	252.09042	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.