CID 457726

3-methoxyonychine

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

CC1=CC(=NC2=C1C(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C14H11NO2/c1-8-7-11(17-2)15-13-9-5-3-4-6-10(9)14(16)12(8)13/h3-7H,1-2H3

InChIKey

PBGOAYDDPIFARG-UHFFFAOYSA-N

Compound name

2-methoxy-4-methylindeno[1,2-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.07898 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]+	226.08626	147.5
[M+Na]+	248.06820	159.4
[M-H]-	224.07170	152.8
[M+NH4]+	243.11280	169.1
[M+K]+	264.04214	155.3
[M+H-H2O]+	208.07624	141.2
[M+HCOO]-	270.07718	170.2
[M+CH3COO]-	284.09283	161.9
[M+Na-2H]-	246.05365	153.8
[M]+	225.07843	151.7
[M]-	225.07953	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.