CID 16217991

N4,n4'-bis(4-bromophenyl)-n4,n4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine

Structural Information

Molecular Formula
C36H26Br2N2
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br
InChI
InChI=1S/C36H26Br2N2/c37-29-15-23-35(24-16-29)39(31-7-3-1-4-8-31)33-19-11-27(12-20-33)28-13-21-34(22-14-28)40(32-9-5-2-6-10-32)36-25-17-30(38)18-26-36/h1-26H
InChIKey
KKZPWVLMUUASEA-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

644.04626 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.05354 236.5
[M+Na]+ 667.03548 239.2
[M-H]- 643.03898 252.8
[M+NH4]+ 662.08008 241.8
[M+K]+ 683.00942 226.0
[M+H-H2O]+ 627.04352 238.7
[M+HCOO]- 689.04446 250.6
[M+CH3COO]- 703.06011 242.9
[M+Na-2H]- 665.02093 236.8
[M]+ 644.04571 265.9
[M]- 644.04681 265.9
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