CID 252499

5,6-diphenyl-1,2,4-triazine

Structural Information

Molecular Formula
C15H11N3
SMILES
C1=CC=C(C=C1)C2=C(N=NC=N2)C3=CC=CC=C3
InChI
InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-15(18-17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKey
YPDRKSCNHYYJCO-UHFFFAOYSA-N
Compound name
5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

233.09529 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10257 152.5
[M+Na]+ 256.08451 161.0
[M-H]- 232.08801 158.0
[M+NH4]+ 251.12911 165.4
[M+K]+ 272.05845 155.1
[M+H-H2O]+ 216.09255 141.5
[M+HCOO]- 278.09349 173.6
[M+CH3COO]- 292.10914 164.2
[M+Na-2H]- 254.06996 162.0
[M]+ 233.09474 150.9
[M]- 233.09584 150.9
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