CID 101523658

2,4,6-tris(3-(pyridin-3-yl)phenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C36H24N6
SMILES
C1=CC(=CC(=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CC=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7
InChI
InChI=1S/C36H24N6/c1-7-25(31-13-4-16-37-22-31)19-28(10-1)34-40-35(29-11-2-8-26(20-29)32-14-5-17-38-23-32)42-36(41-34)30-12-3-9-27(21-30)33-15-6-18-39-24-33/h1-24H
InChIKey
WEDZYOMKTHKKLC-UHFFFAOYSA-N
Compound name
2,4,6-tris(3-pyridin-3-ylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

540.20624 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.21352 237.3
[M+Na]+ 563.19546 261.8
[M+NH4]+ 558.24006 244.0
[M+K]+ 579.16940 247.8
[M-H]- 539.19896 250.7
[M+Na-2H]- 561.18091 256.5
[M]+ 540.20569 245.3
[M]- 540.20679 245.3
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

patents stripe