CID 15926005

941603-99-2

Structural Information

Molecular Formula

C₈H₇BrN₂O₂

SMILES

C1C2=C(NC(=O)CO1)N=CC(=C2)Br

InChI

InChI=1S/C8H7BrN2O2/c9-6-1-5-3-13-4-7(12)11-8(5)10-2-6/h1-2H,3-4H2,(H,10,11,12)

InChIKey

FMYVBUVAGNCORO-UHFFFAOYSA-N

Compound name

7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 241.96909 Da
Monoisotopic Mass: 0.5
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]+	242.97637	140.0
[M+Na]+	264.95831	142.4
[M+NH4]+	260.00291	143.7
[M+K]+	280.93225	144.3
[M-H]-	240.96181	140.2
[M+Na-2H]-	262.94376	142.1
[M]+	241.96854	139.2
[M]-	241.96964	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe