CID 17811

Disperse yellow 3

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)

InChIKey

PXOZAFXVEWKXED-UHFFFAOYSA-N

Compound name

N-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 20
References: 2565
Patents: 269.11642 Da
Monoisotopic Mass: 2.9
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]+	270.12370	160.8
[M+Na]+	292.10564	167.9
[M-H]-	268.10914	169.5
[M+NH4]+	287.15024	177.1
[M+K]+	308.07958	165.2
[M+H-H2O]+	252.11368	152.2
[M+HCOO]-	314.11462	189.2
[M+CH3COO]-	328.13027	208.1
[M+Na-2H]-	290.09109	166.6
[M]+	269.11587	161.8
[M]-	269.11697	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe