CID 58672377

728039-63-2

Structural Information

Molecular Formula
C36H26BrN
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)Br
InChI
InChI=1S/C36H26BrN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKey
VBQIVFTUXFKGKW-UHFFFAOYSA-N
Compound name
N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

551.1249 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.13218 227.4
[M+Na]+ 574.11412 239.3
[M+NH4]+ 569.15872 234.1
[M+K]+ 590.08806 231.1
[M-H]- 550.11762 240.3
[M+Na-2H]- 572.09957 241.3
[M]+ 551.12435 232.5
[M]- 551.12545 232.5
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

patents stripe