CID 84981

15546-43-7

Structural Information

Molecular Formula
C36H28N2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKey
DCZNSJVFOQPSRV-UHFFFAOYSA-N
Compound name
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

11855
Patents

488.22525 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.232526 222.9
[M+Na]+ 511.214468 224.3
[M-H]- 487.217974 240.3
[M+NH4]+ 506.259073 227.1
[M+K]+ 527.188408 216.6
[M+H-H2O]+ 471.222510 207.2
[M+HCOO]- 533.223451 245.4
[M+CH3COO]- 547.239101 229.3
[M+Na-2H]- 509.199916 226.1
[M]+ 488.22470142 218.9
[M]- 488.22579858 218.9
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