CID 5274890

Chembl3940864

Structural Information

Molecular Formula

C₁₃H₁₁FN₂O₂

SMILES

C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C13H11FN2O2/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

KAVAGNABWBXMDN-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 246.08046 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.08774	152.5
[M+Na]+	269.06968	160.1
[M-H]-	245.07318	155.5
[M+NH4]+	264.11428	167.3
[M+K]+	285.04362	155.8
[M+H-H2O]+	229.07772	143.5
[M+HCOO]-	291.07866	174.0
[M+CH3COO]-	305.09431	192.5
[M+Na-2H]-	267.05513	157.9
[M]+	246.07991	150.3
[M]-	246.08101	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe