CID 70594

3-(4-phenyl-2-pyridyl)-5,6-diphenyl-1,2,4-triazine

Structural Information

Molecular Formula
C26H18N4
SMILES
C1=CC=C(C=C1)C2=CC(=NC=C2)C3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H18N4/c1-4-10-19(11-5-1)22-16-17-27-23(18-22)26-28-24(20-12-6-2-7-13-20)25(29-30-26)21-14-8-3-9-15-21/h1-18H
InChIKey
ABWPKESIPFFOLV-UHFFFAOYSA-N
Compound name
5,6-diphenyl-3-(4-phenylpyridin-2-yl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

386.15314 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16042 198.0
[M+Na]+ 409.14236 205.5
[M-H]- 385.14586 207.1
[M+NH4]+ 404.18696 201.8
[M+K]+ 425.11630 195.1
[M+H-H2O]+ 369.15040 182.3
[M+HCOO]- 431.15134 215.1
[M+CH3COO]- 445.16699 205.6
[M+Na-2H]- 407.12781 204.3
[M]+ 386.15259 194.9
[M]- 386.15369 194.9
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