CID 252618

7539-23-3

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O2/c17-16(18)13-8-4-5-11(9-13)10-14-15-12-6-2-1-3-7-12/h1-10,15H

InChIKey

FHOAYWBRYJHYIT-UHFFFAOYSA-N

Compound name

N-[(3-nitrophenyl)methylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 241.08513 Da
Monoisotopic Mass: 3.4
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]+	242.09241	150.2
[M+Na]+	264.07435	155.5
[M-H]-	240.07785	158.0
[M+NH4]+	259.11895	166.3
[M+K]+	280.04829	148.3
[M+H-H2O]+	224.08239	146.3
[M+HCOO]-	286.08333	179.6
[M+CH3COO]-	300.09898	192.3
[M+Na-2H]-	262.05980	160.2
[M]+	241.08458	147.8
[M]-	241.08568	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe