CID 2806935

57786-49-9

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)N

InChI

InChI=1S/C13H13N3O/c14-12-7-2-1-6-11(12)13(17)16-9-10-5-3-4-8-15-10/h1-8H,9,14H2,(H,16,17)

InChIKey

RSFYALXYWGNJJH-UHFFFAOYSA-N

Compound name

2-amino-N-(pyridin-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 12
Patents: 227.10587 Da
Monoisotopic Mass: 1.5
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]+	228.113146	150.2
[M+Na]+	250.095088	156.6
[M-H]-	226.098594	155.2
[M+NH4]+	245.139693	165.8
[M+K]+	266.069028	152.6
[M+H-H2O]+	210.103130	141.7
[M+HCOO]-	272.104071	174.6
[M+CH3COO]-	286.119721	193.4
[M+Na-2H]-	248.080536	156.9
[M]+	227.10532142	147.5
[M]-	227.10641858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe