CID 291023

N,n'-terephthalylidenedianiline

Structural Information

Molecular Formula
C20H16N2
SMILES
C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=C3
InChI
InChI=1S/C20H16N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-16H
InChIKey
XYMUFEVKENAHFB-UHFFFAOYSA-N
Compound name
N-phenyl-1-[4-(phenyliminomethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

284.13135 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 166.7
[M+Na]+ 307.12057 172.8
[M-H]- 283.12407 178.4
[M+NH4]+ 302.16517 182.3
[M+K]+ 323.09451 167.2
[M+H-H2O]+ 267.12861 156.4
[M+HCOO]- 329.12955 195.6
[M+CH3COO]- 343.14520 178.9
[M+Na-2H]- 305.10602 174.9
[M]+ 284.13080 166.1
[M]- 284.13190 166.1
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