CID 479731

6-ethyl-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

CCN1C2=C(C=CC(=C2)C)OC3=C(C1=O)C=CN=N3

InChI

InChI=1S/C14H13N3O2/c1-3-17-11-8-9(2)4-5-12(11)19-13-10(14(17)18)6-7-15-16-13/h4-8H,3H2,1-2H3

InChIKey

CFSZMPPRVZPRSN-UHFFFAOYSA-N

Compound name

6-ethyl-8-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.5
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]+	256.108046	156.0
[M+Na]+	278.089988	166.2
[M-H]-	254.093494	160.0
[M+NH4]+	273.134593	169.5
[M+K]+	294.063928	166.8
[M+H-H2O]+	238.098030	147.2
[M+HCOO]-	300.098971	172.4
[M+CH3COO]-	314.114621	167.7
[M+Na-2H]-	276.075436	163.9
[M]+	255.10022142	156.4
[M]-	255.10131858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.