CID 81021

Solvent red 3

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

CCOC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)O

InChI

InChI=1S/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3

InChIKey

JSEYDVLGSMLKDL-UHFFFAOYSA-N

Compound name

4-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 998
Patents: 292.1212 Da
Monoisotopic Mass: 4.9
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]+	293.12848	167.8
[M+Na]+	315.11042	183.2
[M+NH4]+	310.15502	177.0
[M+K]+	331.08436	173.8
[M-H]-	291.11392	174.9
[M+Na-2H]-	313.09587	178.2
[M]+	292.12065	172.1
[M]-	292.12175	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe