CID 77751

4108-61-6

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N)OC2=O

InChI

InChI=1S/C15H11NO2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H,16H2

InChIKey

IJCLOOKYCQWSJA-UHFFFAOYSA-N

Compound name

7-amino-3-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 237.07898 Da
Monoisotopic Mass: 2.9
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]+	238.08626	150.5
[M+Na]+	260.06820	167.5
[M+NH4]+	255.11280	160.2
[M+K]+	276.04214	159.2
[M-H]-	236.07170	158.3
[M+Na-2H]-	258.05365	160.6
[M]+	237.07843	155.4
[M]-	237.07953	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe