CID 155981974

4',5'-bis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine

Structural Information

Molecular Formula
C30H26N4
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N)N
InChI
InChI=1S/C30H26N4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H,31-34H2
InChIKey
ZBKGCNONJIFUCB-UHFFFAOYSA-N
Compound name
4-[2,4,5-tris(4-aminophenyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

442.21576 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.22304 211.8
[M+Na]+ 465.20498 218.2
[M-H]- 441.20848 225.6
[M+NH4]+ 460.24958 218.2
[M+K]+ 481.17892 209.0
[M+H-H2O]+ 425.21302 199.5
[M+HCOO]- 487.21396 235.1
[M+CH3COO]- 501.22961 219.5
[M+Na-2H]- 463.19043 211.9
[M]+ 442.21521 205.2
[M]- 442.21631 205.2
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