CID 71777753

6-bromo-8-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
COC1=CC(=NC2=C1NCCC2)Br
InChI
InChI=1S/C9H11BrN2O/c1-13-7-5-8(10)12-6-3-2-4-11-9(6)7/h5,11H,2-4H2,1H3
InChIKey
RVCPVTWTSWNMPV-UHFFFAOYSA-N
Compound name
6-bromo-8-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 145.3
[M+Na]+ 264.99470 149.0
[M+NH4]+ 260.03930 150.3
[M+K]+ 280.96864 148.5
[M-H]- 240.99820 145.3
[M+Na-2H]- 262.98015 147.9
[M]+ 242.00493 144.6
[M]- 242.00603 144.6
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.