CID 720033

5-bromo-n-(2-ethoxyphenyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C14H13BrN2O2
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC(=CN=C2)Br
InChI
InChI=1S/C14H13BrN2O2/c1-2-19-13-6-4-3-5-12(13)17-14(18)10-7-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18)
InChIKey
IYLHVDURDORWQH-UHFFFAOYSA-N
Compound name
5-bromo-N-(2-ethoxyphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.01605 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02333 162.8
[M+Na]+ 343.00527 166.9
[M+NH4]+ 338.04987 166.8
[M+K]+ 358.97921 166.1
[M-H]- 319.00877 165.0
[M+Na-2H]- 340.99072 168.0
[M]+ 320.01550 162.8
[M]- 320.01660 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.