CID 12058813

1,3,5-tris(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

1396
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

literature stripe

Patent stripe

patents stripe