CID 3015516

30828-87-6

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)C)O

InChI

InChI=1S/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3

InChIKey

JCQDQWMRANMFIK-UHFFFAOYSA-N

Compound name

4-[[4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 5.5
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]+	347.150246	181.9
[M+Na]+	369.132188	189.7
[M-H]-	345.135694	195.1
[M+NH4]+	364.176793	195.3
[M+K]+	385.106128	185.8
[M+H-H2O]+	329.140230	171.0
[M+HCOO]-	391.141171	213.1
[M+CH3COO]-	405.156821	228.3
[M+Na-2H]-	367.117636	188.2
[M]+	346.14242142	184.5
[M]-	346.14351858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.