CID 453922

10meo-dboa-11one

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CON1C2=CC=CC=C2OC3=CC=CC=C3C1=O

InChI

InChI=1S/C14H11NO3/c1-17-15-11-7-3-5-9-13(11)18-12-8-4-2-6-10(12)14(15)16/h2-9H,1H3

InChIKey

ZHECVBNZLMGZNA-UHFFFAOYSA-N

Compound name

5-methoxybenzo[b][1,4]benzoxazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.0739 Da
Monoisotopic Mass: 2.6
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]+	242.08118	147.8
[M+Na]+	264.06312	156.7
[M-H]-	240.06662	154.3
[M+NH4]+	259.10772	164.2
[M+K]+	280.03706	158.5
[M+H-H2O]+	224.07116	141.9
[M+HCOO]-	286.07210	167.1
[M+CH3COO]-	300.08775	160.7
[M+Na-2H]-	262.04857	156.9
[M]+	241.07335	148.3
[M]-	241.07445	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.