CID 3057069

73941-08-9

Structural Information

Molecular Formula
C18H18N6
SMILES
C1=CC=NC(=C1)C2NC(NC(N2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C18H18N6/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/h1-12,16-18,22-24H
InChIKey
NUSDIQFUHBVDSL-UHFFFAOYSA-N
Compound name
2,4,6-tripyridin-2-yl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16658 179.0
[M+Na]+ 341.14852 184.0
[M-H]- 317.15202 178.5
[M+NH4]+ 336.19312 181.4
[M+K]+ 357.12246 173.4
[M+H-H2O]+ 301.15656 165.3
[M+HCOO]- 363.15750 187.1
[M+CH3COO]- 377.17315 184.3
[M+Na-2H]- 339.13397 184.2
[M]+ 318.15875 168.1
[M]- 318.15985 168.1
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.