CID 623889

967-13-5

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2N=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O2/c20-19(21)15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H

InChIKey

QDPIWAUWWLKADK-UHFFFAOYSA-N

Compound name

N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.08987 Da
Monoisotopic Mass: 4.3
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]+	277.097146	160.8
[M+Na]+	299.079088	167.3
[M-H]-	275.082594	169.5
[M+NH4]+	294.123693	176.9
[M+K]+	315.053028	158.7
[M+H-H2O]+	259.087130	156.5
[M+HCOO]-	321.088071	187.4
[M+CH3COO]-	335.103721	198.5
[M+Na-2H]-	297.064536	170.6
[M]+	276.08932142	159.5
[M]-	276.09041858	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.