CID 66789061

946121-78-4

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1COC2=C(N1)C=C(C=N2)Br
InChI
InChI=1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)11-2-1-9-6/h3-4,9H,1-2H2
InChIKey
FFQNNPQQIUKLGV-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

213.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 135.6
[M+Na]+ 236.96340 146.7
[M-H]- 212.96690 139.2
[M+NH4]+ 232.00800 154.3
[M+K]+ 252.93734 136.8
[M+H-H2O]+ 196.97144 135.2
[M+HCOO]- 258.97238 151.0
[M+CH3COO]- 272.98803 149.8
[M+Na-2H]- 234.94885 146.4
[M]+ 213.97363 151.3
[M]- 213.97473 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