CID 581763

N-(4-nitrobenzylidene)quinolin-6-amine

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

C1=CC2=C(C=CC(=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-])N=C1

InChI

InChI=1S/C16H11N3O2/c20-19(21)15-6-3-12(4-7-15)11-18-14-5-8-16-13(10-14)2-1-9-17-16/h1-11H

InChIKey

MRTGVHMDBZMJNR-UHFFFAOYSA-N

Compound name

1-(4-nitrophenyl)-N-quinolin-6-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.0851 Da
Monoisotopic Mass: 3.1
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]+	278.092376	160.2
[M+Na]+	300.074318	167.0
[M-H]-	276.077824	167.6
[M+NH4]+	295.118923	174.8
[M+K]+	316.048258	158.3
[M+H-H2O]+	260.082360	155.0
[M+HCOO]-	322.083301	185.8
[M+CH3COO]-	336.098951	198.1
[M+Na-2H]-	298.059766	170.9
[M]+	277.08455142	158.9
[M]-	277.08564858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.