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]+ 243.012756 144.2
[M+Na]+ 264.994698 155.3
[M-H]- 240.998204 147.2
[M+NH4]+ 260.039303 163.3
[M+K]+ 280.968638 143.9
[M+H-H2O]+ 225.002740 143.6
[M+HCOO]- 287.003681 159.7
[M+CH3COO]- 301.019331 157.8
[M+Na-2H]- 262.980146 152.6
[M]+ 242.00493142 160.3
[M]- 242.00602858 160.3
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

No patent data available for this compound.