CID 101523658

939430-26-9

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

40
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 238.7
[M+Na]+ 563.19546 244.6
[M-H]- 539.19896 249.3
[M+NH4]+ 558.24006 232.1
[M+K]+ 579.16940 230.5
[M+H-H2O]+ 523.20350 218.1
[M+HCOO]- 585.20444 249.7
[M+CH3COO]- 599.22009 241.4
[M+Na-2H]- 561.18091 242.3
[M]+ 540.20569 233.4
[M]- 540.20679 233.4
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