CID 779743

N,n'-bis(4-hydroxybenzylidene)-1,4-phenylenediamine

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)N=CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H16N2O2/c23-19-9-1-15(2-10-19)13-21-17-5-7-18(8-6-17)22-14-16-3-11-20(24)12-4-16/h1-14,23-24H
InChIKey
MKWLHZZHWQHHGA-UHFFFAOYSA-N
Compound name
4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

316.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 173.8
[M+Na]+ 339.11042 180.7
[M-H]- 315.11392 183.7
[M+NH4]+ 334.15502 187.2
[M+K]+ 355.08436 174.8
[M+H-H2O]+ 299.11846 164.0
[M+HCOO]- 361.11940 200.2
[M+CH3COO]- 375.13505 210.7
[M+Na-2H]- 337.09587 179.8
[M]+ 316.12065 173.3
[M]- 316.12175 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