CID 5748546

Flavasperone

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)OC

InChI

InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3

InChIKey

ARXPDHLVDOYIPX-UHFFFAOYSA-N

Compound name

5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 14
Patents: 286.08414 Da
Monoisotopic Mass: 3.3
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]+	287.09142	159.9
[M+Na]+	309.07336	172.9
[M-H]-	285.07686	166.7
[M+NH4]+	304.11796	176.9
[M+K]+	325.04730	170.8
[M+H-H2O]+	269.08140	152.9
[M+HCOO]-	331.08234	181.7
[M+CH3COO]-	345.09799	202.1
[M+Na-2H]-	307.05881	167.9
[M]+	286.08359	168.9
[M]-	286.08469	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe