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

212
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 237.4
[M+Na]+ 574.11412 242.8
[M-H]- 550.11762 255.5
[M+NH4]+ 569.15872 243.6
[M+K]+ 590.08806 229.3
[M+H-H2O]+ 534.12216 230.2
[M+HCOO]- 596.12310 255.8
[M+CH3COO]- 610.13875 245.0
[M+Na-2H]- 572.09957 238.6
[M]+ 551.12435 251.4
[M]- 551.12545 251.4
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