CID 165936594

8-bromo-2h,3h,4h,5h-pyrido[3,4-f][1,4]oxazepin-5-one

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1COC2=CC(=NC=C2C(=O)N1)Br
InChI
InChI=1S/C8H7BrN2O2/c9-7-3-6-5(4-11-7)8(12)10-1-2-13-6/h3-4H,1-2H2,(H,10,12)
InChIKey
KDLDOTJMFWRTHK-UHFFFAOYSA-N
Compound name
8-bromo-3,4-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96909 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97637 136.7
[M+Na]+ 264.95831 147.0
[M-H]- 240.96181 141.7
[M+NH4]+ 260.00291 153.5
[M+K]+ 280.93225 141.2
[M+H-H2O]+ 224.96635 136.1
[M+HCOO]- 286.96729 151.9
[M+CH3COO]- 300.98294 150.4
[M+Na-2H]- 262.94376 146.0
[M]+ 241.96854 150.0
[M]- 241.96964 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

No patent data available for this compound.