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 162.7
[M+Na]+ 343.00527 172.7
[M-H]- 319.00877 170.5
[M+NH4]+ 338.04987 179.0
[M+K]+ 358.97921 161.1
[M+H-H2O]+ 303.01331 160.2
[M+HCOO]- 365.01425 183.7
[M+CH3COO]- 379.02990 204.2
[M+Na-2H]- 340.99072 169.4
[M]+ 320.01550 182.2
[M]- 320.01660 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.