CID 77258

3682-35-7

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

114
References

3492
Patents

312.11234 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11962 173.3
[M+Na]+ 335.10156 193.3
[M+NH4]+ 330.14616 180.3
[M+K]+ 351.07550 183.8
[M-H]- 311.10506 179.7
[M+Na-2H]- 333.08701 188.5
[M]+ 312.11179 178.2
[M]- 312.11289 178.2
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