CID 74463

N-phenylnicotinamide

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)

InChIKey

NYQXIOZBHWFCBU-UHFFFAOYSA-N

Compound name

N-phenylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 1528
Patents: 198.07932 Da
Monoisotopic Mass: 1.7
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]+	199.086596	141.5
[M+Na]+	221.068538	148.2
[M-H]-	197.072044	146.8
[M+NH4]+	216.113143	158.5
[M+K]+	237.042478	144.9
[M+H-H2O]+	181.076580	133.3
[M+HCOO]-	243.077521	165.8
[M+CH3COO]-	257.093171	184.9
[M+Na-2H]-	219.053986	150.1
[M]+	198.07877142	139.7
[M]-	198.07986858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe