CID 165917264

Ethyl 4,8-dibromo-1,6-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C11H8Br2N2O2
SMILES
CCOC(=O)C1=C(C2=CN=CC(=C2N=C1)Br)Br
InChI
InChI=1S/C11H8Br2N2O2/c1-2-17-11(16)7-4-15-10-6(9(7)13)3-14-5-8(10)12/h3-5H,2H2,1H3
InChIKey
DTRWONBGLKKSOX-UHFFFAOYSA-N
Compound name
ethyl 4,8-dibromo-1,6-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.89526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.90254 155.9
[M+Na]+ 380.88448 151.7
[M+NH4]+ 375.92908 157.3
[M+K]+ 396.85842 158.1
[M-H]- 356.88798 156.1
[M+Na-2H]- 378.86993 157.2
[M]+ 357.89471 154.2
[M]- 357.89581 154.2
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.