CID 473557

1046-57-7

Structural Information

Molecular Formula
C18H12N6
SMILES
C1=CC=NC(=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-17(14-8-2-5-11-20-14)23-24-18(22-16)15-9-3-6-12-21-15/h1-12H
InChIKey
JGMBVEZRZJNYAG-UHFFFAOYSA-N
Compound name
3,5,6-tripyridin-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

312.11234 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11962 176.6
[M+Na]+ 335.10156 185.8
[M-H]- 311.10506 180.9
[M+NH4]+ 330.14616 181.3
[M+K]+ 351.07550 176.7
[M+H-H2O]+ 295.10960 162.0
[M+HCOO]- 357.11054 192.8
[M+CH3COO]- 371.12619 185.2
[M+Na-2H]- 333.08701 185.9
[M]+ 312.11179 174.6
[M]- 312.11289 174.6
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

No patent data available for this compound.