CID 9575011

36772-40-4

Structural Information

Molecular Formula

C₁₂H₁₁N₅

SMILES

C1=CC=NC(=C1)/C=N/N=C(/C2=CC=CC=N2)\N

InChI

InChI=1S/C12H11N5/c13-12(11-6-2-4-8-15-11)17-16-9-10-5-1-3-7-14-10/h1-9H,(H2,13,17)/b16-9+

InChIKey

RSFAFOBXOXFBID-CXUHLZMHSA-N

Compound name

N'-[(E)-pyridin-2-ylmethylideneamino]pyridine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.10144 Da
Monoisotopic Mass: 1.2
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]+	226.108716	148.6
[M+Na]+	248.090658	154.9
[M-H]-	224.094164	154.6
[M+NH4]+	243.135263	163.6
[M+K]+	264.064598	151.5
[M+H-H2O]+	208.098700	138.3
[M+HCOO]-	270.099641	175.9
[M+CH3COO]-	284.115291	198.5
[M+Na-2H]-	246.076106	158.2
[M]+	225.10089142	146.4
[M]-	225.10198858	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.