CID 5274889

N-[(4-bromophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide

Structural Information

Molecular Formula
C13H11BrN2O2
SMILES
C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C13H11BrN2O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8H2,(H,16,18)
InChIKey
ODOGGAZUUYFOQS-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.0004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00768 158.7
[M+Na]+ 328.98962 168.7
[M-H]- 304.99312 165.3
[M+NH4]+ 324.03422 174.8
[M+K]+ 344.96356 156.4
[M+H-H2O]+ 288.99766 156.7
[M+HCOO]- 350.99860 178.6
[M+CH3COO]- 365.01425 199.1
[M+Na-2H]- 326.97507 165.5
[M]+ 305.99985 176.2
[M]- 306.00095 176.2
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.