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 147.4
[M+Na]+ 380.88448 158.9
[M-H]- 356.88798 153.1
[M+NH4]+ 375.92908 163.7
[M+K]+ 396.85842 144.2
[M+H-H2O]+ 340.89252 155.0
[M+HCOO]- 402.89346 161.2
[M+CH3COO]- 416.90911 211.7
[M+Na-2H]- 378.86993 155.3
[M]+ 357.89471 183.8
[M]- 357.89581 183.8
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.