CID 24229635

7-bromo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazine

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1COC2=C(N1)N=CC(=C2)Br
InChI
InChI=1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)9-1-2-11-6/h3-4H,1-2H2,(H,9,10)
InChIKey
CYISPVTTZWJFEO-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

213.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 135.6
[M+Na]+ 236.963398 146.7
[M-H]- 212.966904 139.2
[M+NH4]+ 232.008003 154.3
[M+K]+ 252.937338 136.8
[M+H-H2O]+ 196.971440 135.2
[M+HCOO]- 258.972381 151.0
[M+CH3COO]- 272.988031 149.8
[M+Na-2H]- 234.948846 146.4
[M]+ 213.97363142 151.3
[M]- 213.97472858 151.3
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