CID 72213615

1260666-73-6

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1CNC(=O)C2=CN=CC(=C21)Br
InChI
InChI=1S/C8H7BrN2O/c9-7-4-10-3-6-5(7)1-2-11-8(6)12/h3-4H,1-2H2,(H,11,12)
InChIKey
KFLWJWILEDINQR-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-2H-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.