CID 24700711

304650-02-0

Structural Information

Molecular Formula

C₁₃H₉N₃O

SMILES

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H9N3O/c14-9-10-5-1-2-6-11(10)16-13(17)12-7-3-4-8-15-12/h1-8H,(H,16,17)

InChIKey

CMOBXBANKIGTSJ-UHFFFAOYSA-N

Compound name

N-(2-cyanophenyl)pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 237
Patents: 223.07455 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]+	224.08183	153.4
[M+Na]+	246.06377	162.5
[M-H]-	222.06727	157.0
[M+NH4]+	241.10837	167.5
[M+K]+	262.03771	157.3
[M+H-H2O]+	206.07181	138.3
[M+HCOO]-	268.07275	173.0
[M+CH3COO]-	282.08840	201.5
[M+Na-2H]-	244.04922	159.2
[M]+	223.07400	146.8
[M]-	223.07510	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe