CID 42907684

69751-45-7

Structural Information

Molecular Formula

C₁₈H₁₅N₃O

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H15N3O/c22-18(16-11-5-7-13-20-16)21-17(14-8-2-1-3-9-14)15-10-4-6-12-19-15/h1-13,17H,(H,21,22)

InChIKey

CQRZHUMHDKYKQN-UHFFFAOYSA-N

Compound name

N-[phenyl(pyridin-2-yl)methyl]pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.12152 Da
Monoisotopic Mass: 2.6
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]+	290.128796	166.8
[M+Na]+	312.110738	171.6
[M-H]-	288.114244	173.0
[M+NH4]+	307.155343	177.8
[M+K]+	328.084678	166.4
[M+H-H2O]+	272.118780	155.7
[M+HCOO]-	334.119721	187.7
[M+CH3COO]-	348.135371	176.7
[M+Na-2H]-	310.096186	173.7
[M]+	289.12097142	164.1
[M]-	289.12206858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe