CID 5480909

152969-73-8

Structural Information

Molecular Formula

C₁₅H₁₁NO₄

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)N

InChI

InChI=1S/C15H11NO4/c16-14-11(19)6-9(17)13-10(18)7-12(20-15(13)14)8-4-2-1-3-5-8/h1-7,17,19H,16H2

InChIKey

OHQMPZAEJQQKLF-UHFFFAOYSA-N

Compound name

8-amino-5,7-dihydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 269.06882 Da
Monoisotopic Mass: 2.3
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]+	270.07610	158.0
[M+Na]+	292.05804	168.5
[M-H]-	268.06154	164.7
[M+NH4]+	287.10264	172.7
[M+K]+	308.03198	164.7
[M+H-H2O]+	252.06608	150.7
[M+HCOO]-	314.06702	179.1
[M+CH3COO]-	328.08267	170.6
[M+Na-2H]-	290.04349	164.3
[M]+	269.06827	158.6
[M]-	269.06937	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe