CID 20824376

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

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

C1COC2=C(N1)N=C(C=C2)Br

InChI

InChI=1S/C7H7BrN2O/c8-6-2-1-5-7(10-6)9-3-4-11-5/h1-2H,3-4H2,(H,9,10)

InChIKey

OTGDCHNSXQUISE-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 213.97418 Da
Monoisotopic Mass: 1.9
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe