CID 13766873

3009-45-8

Structural Information

Molecular Formula

C₁₆H₁₉N₃O

SMILES

CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O/c1-2-19(12-13-20)16-10-8-15(9-11-16)18-17-14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3

InChIKey

GHGOCLGPGNHCBX-UHFFFAOYSA-N

Compound name

2-(N-ethyl-4-phenyldiazenylanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 269.1528 Da
Monoisotopic Mass: 3.9
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]+	270.160076	162.4
[M+Na]+	292.142018	167.3
[M-H]-	268.145524	171.4
[M+NH4]+	287.186623	178.8
[M+K]+	308.115958	165.1
[M+H-H2O]+	252.150060	153.0
[M+HCOO]-	314.151001	191.6
[M+CH3COO]-	328.166651	210.5
[M+Na-2H]-	290.127466	169.5
[M]+	269.15225142	164.2
[M]-	269.15334858	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe