CID 17225

4'-nitro-4-dimethylaminoazobenzene

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

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

InChI

InChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3

InChIKey

LSFRFLVWCKLQTO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 79
Patents: 270.11166 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]+	271.11894	160.2
[M+Na]+	293.10088	173.8
[M+NH4]+	288.14548	168.6
[M+K]+	309.07482	168.9
[M-H]-	269.10438	168.6
[M+Na-2H]-	291.08633	170.5
[M]+	270.11111	164.4
[M]-	270.11221	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe