CID 65687

Mepixanox

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCCCC4

InChI

InChI=1S/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3

InChIKey

PYSOHOOUXFWCFF-UHFFFAOYSA-N

Compound name

3-methoxy-4-(piperidin-1-ylmethyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 339
Patents: 323.15213 Da
Monoisotopic Mass: 3.6
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]+	324.15941	175.1
[M+Na]+	346.14135	183.4
[M-H]-	322.14485	182.5
[M+NH4]+	341.18595	188.4
[M+K]+	362.11529	179.3
[M+H-H2O]+	306.14939	164.9
[M+HCOO]-	368.15033	192.2
[M+CH3COO]-	382.16598	185.9
[M+Na-2H]-	344.12680	181.4
[M]+	323.15158	176.6
[M]-	323.15268	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe