CID 4176531

N,n'-terephthalylidenebis(4-phenoxyaniline)

Structural Information

Molecular Formula
C32H24N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)N=CC3=CC=C(C=C3)C=NC4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C32H24N2O2/c1-3-7-29(8-4-1)35-31-19-15-27(16-20-31)33-23-25-11-13-26(14-12-25)24-34-28-17-21-32(22-18-28)36-30-9-5-2-6-10-30/h1-24H
InChIKey
FLDXGGWUQDMBKY-UHFFFAOYSA-N
Compound name
N-(4-phenoxyphenyl)-1-[4-[(4-phenoxyphenyl)iminomethyl]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.18378 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19106 218.3
[M+Na]+ 491.17300 222.6
[M-H]- 467.17650 234.4
[M+NH4]+ 486.21760 224.6
[M+K]+ 507.14694 215.1
[M+H-H2O]+ 451.18104 203.3
[M+HCOO]- 513.18198 244.5
[M+CH3COO]- 527.19763 226.4
[M+Na-2H]- 489.15845 222.8
[M]+ 468.18323 218.7
[M]- 468.18433 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.