CID 80985

6492-50-8

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C)N

InChI

InChI=1S/C14H14N4O2/c1-9-8-14(10(2)7-13(9)15)17-16-11-3-5-12(6-4-11)18(19)20/h3-8H,15H2,1-2H3

InChIKey

JKPNCURSUJVONG-UHFFFAOYSA-N

Compound name

2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 270.11166 Da
Monoisotopic Mass: 3.6
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]+	271.118936	159.3
[M+Na]+	293.100878	166.4
[M-H]-	269.104384	168.9
[M+NH4]+	288.145483	175.2
[M+K]+	309.074818	159.7
[M+H-H2O]+	253.108920	155.0
[M+HCOO]-	315.109861	190.0
[M+CH3COO]-	329.125511	205.6
[M+Na-2H]-	291.086326	166.5
[M]+	270.11111142	158.4
[M]-	270.11220858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe