CID 22180146

3-bromo-7,8-dihydro-1,6-naphthyridin-5(6h)-one

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

C1CNC(=O)C2=C1N=CC(=C2)Br

InChI

InChI=1S/C8H7BrN2O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h3-4H,1-2H2,(H,10,12)

InChIKey

MAFVYPWCNOGKEE-UHFFFAOYSA-N

Compound name

3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 225.97418 Da
Monoisotopic Mass: 0.9
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]+	226.98146	139.6
[M+Na]+	248.96340	143.5
[M+NH4]+	244.00800	144.5
[M+K]+	264.93734	143.2
[M-H]-	224.96690	139.4
[M+Na-2H]-	246.94885	142.5
[M]+	225.97363	138.8
[M]-	225.97473	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe