CID 16206064

94209-20-8

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)O)NC3=CC=C(C=C3)O

InChI

InChI=1S/C18H16N2O2/c21-17-9-5-15(6-10-17)19-13-1-2-14(4-3-13)20-16-7-11-18(22)12-8-16/h1-12,19-22H

InChIKey

YFJMEBYJCJMELS-UHFFFAOYSA-N

Compound name

4-[4-(4-hydroxyanilino)anilino]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 292.1212 Da
Monoisotopic Mass: 4.3
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]+	293.128476	165.3
[M+Na]+	315.110418	171.5
[M-H]-	291.113924	172.8
[M+NH4]+	310.155023	178.4
[M+K]+	331.084358	165.6
[M+H-H2O]+	275.118460	156.6
[M+HCOO]-	337.119401	189.1
[M+CH3COO]-	351.135051	176.1
[M+Na-2H]-	313.095866	171.8
[M]+	292.12065142	162.2
[M]-	292.12174858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe