CID 22180146

301666-81-9

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

26
Patents

225.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 138.1
[M+Na]+ 248.963398 150.0
[M-H]- 224.966904 141.4
[M+NH4]+ 244.008003 157.9
[M+K]+ 264.937338 138.2
[M+H-H2O]+ 208.971440 137.9
[M+HCOO]- 270.972381 154.3
[M+CH3COO]- 284.988031 152.3
[M+Na-2H]- 246.948846 147.2
[M]+ 225.97363142 153.3
[M]- 225.97472858 153.3
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