CID 453969

9meo-6me-pboa-5one

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₃

SMILES

CN1C2=C(C=C(C=C2)OC)OC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C14H12N2O3/c1-16-11-6-5-9(18-2)8-12(11)19-13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3

InChIKey

RZCMGKXPQSNVRP-UHFFFAOYSA-N

Compound name

9-methoxy-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.08478 Da
Monoisotopic Mass: 1.8
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]+	257.092056	153.3
[M+Na]+	279.073998	163.3
[M-H]-	255.077504	158.8
[M+NH4]+	274.118603	168.1
[M+K]+	295.047938	164.9
[M+H-H2O]+	239.082040	146.0
[M+HCOO]-	301.082981	171.3
[M+CH3COO]-	315.098631	165.8
[M+Na-2H]-	277.059446	161.6
[M]+	256.08423142	154.7
[M]-	256.08532858	154.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.