CID 607196

Cbdive_006085

Structural Information

Molecular Formula

C₁₉H₁₅N₃O

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC=CC=C3O

InChI

InChI=1S/C19H15N3O/c23-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)22-21-17-7-2-1-3-8-17/h1-14,23H

InChIKey

JXHFGNGOTPNMRT-UHFFFAOYSA-N

Compound name

2-[(4-phenyldiazenylphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 301.12152 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]+	302.12880	168.9
[M+Na]+	324.11074	175.5
[M-H]-	300.11424	181.2
[M+NH4]+	319.15534	183.7
[M+K]+	340.08468	170.7
[M+H-H2O]+	284.11878	158.4
[M+HCOO]-	346.11972	199.5
[M+CH3COO]-	360.13537	214.3
[M+Na-2H]-	322.09619	177.5
[M]+	301.12097	169.2
[M]-	301.12207	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe