CID 289676

70421-66-8

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

C1=CC=NC(=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O2/c17-16(18)12-6-4-10(5-7-12)15-14-9-11-3-1-2-8-13-11/h1-9,15H

InChIKey

JXFHYUCJPGWCFI-UHFFFAOYSA-N

Compound name

4-nitro-N-(pyridin-2-ylmethylideneamino)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 242.08037 Da
Monoisotopic Mass: 2.6
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]+	243.08765	150.5
[M+Na]+	265.06959	164.5
[M+NH4]+	260.11419	158.4
[M+K]+	281.04353	159.7
[M-H]-	241.07309	157.0
[M+Na-2H]-	263.05504	160.7
[M]+	242.07982	154.1
[M]-	242.08092	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.