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]+ 321.023326 162.7
[M+Na]+ 343.005268 172.7
[M-H]- 319.008774 170.5
[M+NH4]+ 338.049873 179.0
[M+K]+ 358.979208 161.1
[M+H-H2O]+ 303.013310 160.2
[M+HCOO]- 365.014251 183.7
[M+CH3COO]- 379.029901 204.2
[M+Na-2H]- 340.990716 169.4
[M]+ 320.01550142 182.2
[M]- 320.01659858 182.2
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.