CID 12058813

1,3,5-tri(4-aminophenyl)benzene

Structural Information

Molecular Formula
C24H21N3
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2
InChIKey
QHQSCKLPDVSEBJ-UHFFFAOYSA-N
Compound name
4-[3,5-bis(4-aminophenyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1464
Patents

351.17355 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18083 186.7
[M+Na]+ 374.16277 193.8
[M-H]- 350.16627 198.3
[M+NH4]+ 369.20737 197.6
[M+K]+ 390.13671 185.6
[M+H-H2O]+ 334.17081 176.1
[M+HCOO]- 396.17175 211.1
[M+CH3COO]- 410.18740 196.6
[M+Na-2H]- 372.14822 189.1
[M]+ 351.17300 181.2
[M]- 351.17410 181.2
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

No patent data available for this compound.