CID 18186

3025-52-3

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(21)22/h5-12H,3-4H2,1-2H3

InChIKey

LVQIWDUSUJTZJF-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 298.14297 Da
Monoisotopic Mass: 4.4
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]+	299.15025	169.2
[M+Na]+	321.13219	182.4
[M+NH4]+	316.17679	177.4
[M+K]+	337.10613	177.0
[M-H]-	297.13569	177.5
[M+Na-2H]-	319.11764	179.0
[M]+	298.14242	173.3
[M]-	298.14352	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe