CID 5274878

2-pyridinecarboxamide,n-(4-bromophenyl)-3-hydroxy-

Structural Information

Molecular Formula
C12H9BrN2O2
SMILES
C1=CC(=C(N=C1)C(=O)NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H9BrN2O2/c13-8-3-5-9(6-4-8)15-12(17)11-10(16)2-1-7-14-11/h1-7,16H,(H,15,17)
InChIKey
SHGLDBSTMGKEOX-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.98474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99202 154.2
[M+Na]+ 314.97396 164.6
[M-H]- 290.97746 161.0
[M+NH4]+ 310.01856 170.9
[M+K]+ 330.94790 152.5
[M+H-H2O]+ 274.98200 152.4
[M+HCOO]- 336.98294 174.5
[M+CH3COO]- 350.99859 196.3
[M+Na-2H]- 312.95941 161.5
[M]+ 291.98419 171.3
[M]- 291.98529 171.3
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.