CID 78268

4511-99-3

Structural Information

Molecular Formula
C15H12N4
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19)
InChIKey
NZRHOWNFGASHMN-UHFFFAOYSA-N
Compound name
5,6-diphenyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

114
Patents

248.1062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 157.1
[M+Na]+ 271.09542 165.7
[M-H]- 247.09892 162.5
[M+NH4]+ 266.14002 169.1
[M+K]+ 287.06936 159.3
[M+H-H2O]+ 231.10346 146.1
[M+HCOO]- 293.10440 178.6
[M+CH3COO]- 307.12005 168.3
[M+Na-2H]- 269.08087 165.4
[M]+ 248.10565 154.3
[M]- 248.10675 154.3
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