CID 15568

Metazide

Structural Information

Molecular Formula

C₁₃H₁₄N₆O₂

SMILES

C1=CN=CC=C1C(=O)NNCNNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21)

InChIKey

WWCIFIOLOMCRET-UHFFFAOYSA-N

Compound name

N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 33
References: 96
Patents: 286.11783 Da
Monoisotopic Mass: -0.3
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]+	287.12511	160.3
[M+Na]+	309.10705	163.7
[M-H]-	285.11055	164.1
[M+NH4]+	304.15165	171.0
[M+K]+	325.08099	160.8
[M+H-H2O]+	269.11509	149.7
[M+HCOO]-	331.11603	185.4
[M+CH3COO]-	345.13168	207.9
[M+Na-2H]-	307.09250	169.2
[M]+	286.11728	157.3
[M]-	286.11838	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe