CID 46835219

757251-39-1

Structural Information

Molecular Formula

C₁₃H₁₂FN₃O₂

SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F

InChI

InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)

InChIKey

ZQHJPIPGBODVTG-UHFFFAOYSA-N

Compound name

4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 261.09137 Da
Monoisotopic Mass: 1.4
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]+	262.09865	156.8
[M+Na]+	284.08059	164.9
[M-H]-	260.08409	161.1
[M+NH4]+	279.12519	171.4
[M+K]+	300.05453	161.2
[M+H-H2O]+	244.08863	147.3
[M+HCOO]-	306.08957	180.2
[M+CH3COO]-	320.10522	200.7
[M+Na-2H]-	282.06604	161.3
[M]+	261.09082	155.2
[M]-	261.09192	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe