CID 317666

42333-78-8

Structural Information

Molecular Formula
C18H12N6
SMILES
C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
InChIKey
CBMYFVSIIYILRH-UHFFFAOYSA-N
Compound name
2,4,6-tripyridin-4-yl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

475
Patents

312.11234 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe