CID 629425

2,4,6-triphenylaniline

Structural Information

Molecular Formula
C24H19N
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C24H19N/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,25H2
InChIKey
AGWKGKUGJDMKMT-UHFFFAOYSA-N
Compound name
2,4,6-triphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

186
Patents

321.15176 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15904 178.7
[M+Na]+ 344.14098 185.5
[M-H]- 320.14448 190.6
[M+NH4]+ 339.18558 191.3
[M+K]+ 360.11492 177.6
[M+H-H2O]+ 304.14902 168.2
[M+HCOO]- 366.14996 202.2
[M+CH3COO]- 380.16561 189.4
[M+Na-2H]- 342.12643 183.3
[M]+ 321.15121 175.1
[M]- 321.15231 175.1
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