CID 11659955

Pf-01247324

Structural Information

Molecular Formula

C₁₃H₁₀Cl₃N₃O

SMILES

CNC(=O)C1=NC(=C(C=C1)C2=C(C(=CC(=C2)Cl)Cl)Cl)N

InChI

InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)

InChIKey

HPIUHDCRVYDAEJ-UHFFFAOYSA-N

Compound name

6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 39
Patents: 328.98895 Da
Monoisotopic Mass: 3.6
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]+	329.99623	170.3
[M+Na]+	351.97817	181.1
[M-H]-	327.98167	174.1
[M+NH4]+	347.02277	184.2
[M+K]+	367.95211	173.9
[M+H-H2O]+	311.98621	164.6
[M+HCOO]-	373.98715	179.2
[M+CH3COO]-	388.00280	211.1
[M+Na-2H]-	349.96362	171.3
[M]+	328.98840	172.9
[M]-	328.98950	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe