CID 16787536

953727-11-2

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)N

InChI

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

InChIKey

ZFJSJMYRFIQJOT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.10587 Da
Monoisotopic Mass: 1.0
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]+	228.11315	150.2
[M+Na]+	250.09509	156.6
[M-H]-	226.09859	155.2
[M+NH4]+	245.13969	165.8
[M+K]+	266.06903	152.6
[M+H-H2O]+	210.10313	141.7
[M+HCOO]-	272.10407	174.6
[M+CH3COO]-	286.11972	193.4
[M+Na-2H]-	248.08054	156.9
[M]+	227.10532	147.5
[M]-	227.10642	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe