CID 81975

Toluene-2,4-diamine, 5-(o-tolylazo)-

Structural Information

Molecular Formula

C₁₄H₁₆N₄

SMILES

CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N)N

InChI

InChI=1S/C14H16N4/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16/h3-8H,15-16H2,1-2H3

InChIKey

LFAUQAQLVVJIAC-UHFFFAOYSA-N

Compound name

4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 240.1375 Da
Monoisotopic Mass: 3.1
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]+	241.144776	155.1
[M+Na]+	263.126718	163.4
[M-H]-	239.130224	164.6
[M+NH4]+	258.171323	173.0
[M+K]+	279.100658	160.0
[M+H-H2O]+	223.134760	146.7
[M+HCOO]-	285.135701	185.5
[M+CH3COO]-	299.151351	209.0
[M+Na-2H]-	261.112166	160.6
[M]+	240.13695142	154.0
[M]-	240.13804858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe