CID 137928487

5-bromo-1-methoxy-2,7-naphthyridine

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
COC1=NC=CC2=C(C=NC=C21)Br
InChI
InChI=1S/C9H7BrN2O/c1-13-9-7-4-11-5-8(10)6(7)2-3-12-9/h2-5H,1H3
InChIKey
QTBPRUCDUGSUGI-UHFFFAOYSA-N
Compound name
5-bromo-1-methoxy-2,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 139.3
[M+Na]+ 260.963398 152.8
[M-H]- 236.966904 144.4
[M+NH4]+ 256.008003 159.5
[M+K]+ 276.937338 142.0
[M+H-H2O]+ 220.971440 138.7
[M+HCOO]- 282.972381 159.1
[M+CH3COO]- 296.988031 154.8
[M+Na-2H]- 258.948846 150.4
[M]+ 237.97363142 159.9
[M]- 237.97472858 159.9
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