CID 84665756

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

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
COC1=C2C=CC(=NC2=NC=C1)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-7-4-5-11-9-6(7)2-3-8(10)12-9/h2-5H,1H3
InChIKey
PECOTGKFWXKSNH-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 135.8
[M+Na]+ 217.013908 147.3
[M-H]- 193.017414 138.0
[M+NH4]+ 212.058513 154.9
[M+K]+ 232.987848 143.1
[M+H-H2O]+ 177.021950 129.0
[M+HCOO]- 239.022891 153.2
[M+CH3COO]- 253.038541 149.7
[M+Na-2H]- 214.999356 145.5
[M]+ 194.02414142 139.6
[M]- 194.02523858 139.6
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

patents stripe