CID 72080

Panidazole

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂

SMILES

CC1=NC=C(N1CCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2/c1-9-13-8-11(15(16)17)14(9)7-4-10-2-5-12-6-3-10/h2-3,5-6,8H,4,7H2,1H3

InChIKey

ARYPMCPJIWUCIP-UHFFFAOYSA-N

Compound name

4-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 118
Patents: 232.09602 Da
Monoisotopic Mass: 0.1
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]+	233.103296	150.0
[M+Na]+	255.085238	158.0
[M-H]-	231.088744	153.4
[M+NH4]+	250.129843	164.7
[M+K]+	271.059178	150.8
[M+H-H2O]+	215.093280	145.3
[M+HCOO]-	277.094221	173.2
[M+CH3COO]-	291.109871	184.9
[M+Na-2H]-	253.070686	157.4
[M]+	232.09547142	149.5
[M]-	232.09656858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe