CID 20601

4512-00-9

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3
InChI
InChI=1S/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChIKey
VTOJJDGNQGCRLP-UHFFFAOYSA-N
Compound name
5,6-diphenyl-2H-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

50
Patents

249.09021 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 156.4
[M+Na]+ 272.07943 174.1
[M+NH4]+ 267.12403 164.3
[M+K]+ 288.05337 165.5
[M-H]- 248.08293 161.6
[M+Na-2H]- 270.06488 168.9
[M]+ 249.08966 160.5
[M]- 249.09076 160.5
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