CID 571686

60259-80-5

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

CC1=CC=C(C=C1)NN=NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O2/c1-11-2-6-13(7-3-11)16-17-15-10-12-4-8-14(9-5-12)18(19)20/h2-9H,10H2,1H3,(H,15,16)

InChIKey

ZATZIBWEALYTHN-UHFFFAOYSA-N

Compound name

4-methyl-N-[(4-nitrophenyl)methyldiazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 270.11166 Da
Monoisotopic Mass: 4.1
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	158.0
[M+Na]+	293.10088	163.2
[M-H]-	269.10438	167.3
[M+NH4]+	288.14548	173.5
[M+K]+	309.07482	156.8
[M+H-H2O]+	253.10892	153.2
[M+HCOO]-	315.10986	189.4
[M+CH3COO]-	329.12551	204.1
[M+Na-2H]-	291.08633	167.7
[M]+	270.11111	157.3
[M]-	270.11221	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe