CID 453989

140413-32-7

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C15H13N3O3/c1-8-6-10(13(16)19)12-11(7-8)21-14-9(4-3-5-17-14)15(20)18(12)2/h3-7H,1-2H3,(H2,16,19)

InChIKey

DHIHZKCNOJLXKW-UHFFFAOYSA-N

Compound name

6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.0957 Da
Monoisotopic Mass: 1.1
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]+	284.102976	162.9
[M+Na]+	306.084918	172.4
[M-H]-	282.088424	168.2
[M+NH4]+	301.129523	176.2
[M+K]+	322.058858	174.2
[M+H-H2O]+	266.092960	155.2
[M+HCOO]-	328.093901	180.1
[M+CH3COO]-	342.109551	174.3
[M+Na-2H]-	304.070366	168.3
[M]+	283.09515142	162.3
[M]-	283.09624858	162.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.