CID 6871824

292612-17-0

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂

SMILES

CC1=C(C=CO1)C(=O)N/N=C/C2=CC=CC=N2

InChI

InChI=1S/C12H11N3O2/c1-9-11(5-7-17-9)12(16)15-14-8-10-4-2-3-6-13-10/h2-8H,1H3,(H,15,16)/b14-8+

InChIKey

FYMLWJAMXQEYLH-RIYZIHGNSA-N

Compound name

2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 229.08513 Da
Monoisotopic Mass: 1.6
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]+	230.092406	149.9
[M+Na]+	252.074348	157.3
[M-H]-	228.077854	157.6
[M+NH4]+	247.118953	166.8
[M+K]+	268.048288	156.0
[M+H-H2O]+	212.082390	141.5
[M+HCOO]-	274.083331	176.9
[M+CH3COO]-	288.098981	194.0
[M+Na-2H]-	250.059796	156.6
[M]+	229.08458142	151.6
[M]-	229.08567858	151.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.