CID 37552

36845-05-3

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H13N3O/c1-9-6-7-15-12(8-9)16-13(17)10-2-4-11(14)5-3-10/h2-8H,14H2,1H3,(H,15,16,17)

InChIKey

DZNHKWPUFQKTRB-UHFFFAOYSA-N

Compound name

4-amino-N-(4-methylpyridin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.10587 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]+	228.11315	150.7
[M+Na]+	250.09509	158.1
[M-H]-	226.09859	156.1
[M+NH4]+	245.13969	166.6
[M+K]+	266.06903	154.2
[M+H-H2O]+	210.10313	142.4
[M+HCOO]-	272.10407	175.1
[M+CH3COO]-	286.11972	194.6
[M+Na-2H]-	248.08054	156.6
[M]+	227.10532	148.4
[M]-	227.10642	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe