CID 453992

6,9-dime-7meoh-pboa-5one

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃

SMILES

CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)CO

InChI

InChI=1S/C15H14N2O3/c1-9-6-10(8-18)13-12(7-9)20-14-11(4-3-5-16-14)15(19)17(13)2/h3-7,18H,8H2,1-2H3

InChIKey

KDRBBTACRJGQHR-UHFFFAOYSA-N

Compound name

7-(hydroxymethyl)-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 270.10043 Da
Monoisotopic Mass: 1.3
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]+	271.107706	159.0
[M+Na]+	293.089648	169.0
[M-H]-	269.093154	163.4
[M+NH4]+	288.134253	172.9
[M+K]+	309.063588	169.9
[M+H-H2O]+	253.097690	151.9
[M+HCOO]-	315.098631	175.2
[M+CH3COO]-	329.114281	170.7
[M+Na-2H]-	291.075096	165.6
[M]+	270.09988142	159.5
[M]-	270.10097858	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.