CID 453967

9dimeam-6me-pboa-5one

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C15H15N3O2/c1-17(2)10-6-7-12-13(9-10)20-14-11(5-4-8-16-14)15(19)18(12)3/h4-9H,1-3H3

InChIKey

HUESBOPSZSWDRA-UHFFFAOYSA-N

Compound name

9-(dimethylamino)-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.11642 Da
Monoisotopic Mass: 1.9
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]+	270.123696	159.2
[M+Na]+	292.105638	168.3
[M-H]-	268.109144	165.9
[M+NH4]+	287.150243	173.9
[M+K]+	308.079578	170.5
[M+H-H2O]+	252.113680	151.2
[M+HCOO]-	314.114621	178.2
[M+CH3COO]-	328.130271	171.4
[M+Na-2H]-	290.091086	166.7
[M]+	269.11587142	160.1
[M]-	269.11696858	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.