CID 53421617

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

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

COC1=NC2=C(C=CN=C2C=C1)Br

InChI

InChI=1S/C9H7BrN2O/c1-13-8-3-2-7-9(12-8)6(10)4-5-11-7/h2-5H,1H3

InChIKey

HPQMRRPAOIGXFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 237.97418 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.98146	140.9
[M+Na]+	260.96340	146.7
[M+NH4]+	256.00800	146.3
[M+K]+	276.93734	145.7
[M-H]-	236.96690	141.7
[M+Na-2H]-	258.94885	145.8
[M]+	237.97363	140.9
[M]-	237.97473	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe