CID 43991

62308-10-5

Structural Information

Molecular Formula

C₁₃H₁₂N₄O₂

SMILES

CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2/c1-9-8-10(14)2-7-13(9)16-15-11-3-5-12(6-4-11)17(18)19/h2-8H,14H2,1H3

InChIKey

YVJFVECKROREIF-UHFFFAOYSA-N

Compound name

3-methyl-4-[(4-nitrophenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 256.09604 Da
Monoisotopic Mass: 3.2
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]+	257.10332	155.8
[M+Na]+	279.08526	169.6
[M+NH4]+	274.12986	164.1
[M+K]+	295.05920	164.8
[M-H]-	255.08876	163.9
[M+Na-2H]-	277.07071	165.4
[M]+	256.09549	159.9
[M]-	256.09659	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe