CID 18186

N,n-diethyl-4-((4-nitrophenyl)azo)aniline

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: 53
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]+	299.150246	168.6
[M+Na]+	321.132188	173.1
[M-H]-	297.135694	178.9
[M+NH4]+	316.176793	183.6
[M+K]+	337.106128	167.6
[M+H-H2O]+	281.140230	163.2
[M+HCOO]-	343.141171	199.7
[M+CH3COO]-	357.156821	213.5
[M+Na-2H]-	319.117636	176.3
[M]+	298.14242142	169.8
[M]-	298.14351858	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe