CID 294858

N,n'-terephthalylidenebis(4-aminophenol)

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)O)C=NC3=CC=C(C=C3)O
InChI
InChI=1S/C20H16N2O2/c23-19-9-5-17(6-10-19)21-13-15-1-2-16(4-3-15)14-22-18-7-11-20(24)12-8-18/h1-14,23-24H
InChIKey
WPKCAAZPBXYJCW-UHFFFAOYSA-N
Compound name
4-[[4-[(4-hydroxyphenyl)iminomethyl]phenyl]methylideneamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

316.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 173.8
[M+Na]+ 339.110418 180.7
[M-H]- 315.113924 183.7
[M+NH4]+ 334.155023 187.2
[M+K]+ 355.084358 174.8
[M+H-H2O]+ 299.118460 164.0
[M+HCOO]- 361.119401 200.2
[M+CH3COO]- 375.135051 210.7
[M+Na-2H]- 337.095866 179.8
[M]+ 316.12065142 173.3
[M]- 316.12174858 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe