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

35
Patents

241.96909 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 136.7
[M+Na]+ 264.958308 147.0
[M-H]- 240.961814 141.7
[M+NH4]+ 260.002913 153.5
[M+K]+ 280.932248 141.2
[M+H-H2O]+ 224.966350 136.1
[M+HCOO]- 286.967291 151.9
[M+CH3COO]- 300.982941 150.4
[M+Na-2H]- 262.943756 146.0
[M]+ 241.96854142 150.0
[M]- 241.96963858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe