CID 3044372

Brn 1196067

Structural Information

Molecular Formula
C36H32N6
SMILES
C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)CCCCCCC4=NC(=CC=C4)C5=CC=CC(=N5)C6=CC=CC=N6
InChI
InChI=1S/C36H32N6/c1(3-13-27-15-9-19-33(39-27)35-23-11-21-31(41-35)29-17-5-7-25-37-29)2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30/h5-12,15-26H,1-4,13-14H2
InChIKey
GRTSNGIVZZVLNU-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-6-[6-[6-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]hexyl]pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.26886 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.27614 241.4
[M+Na]+ 571.25808 245.6
[M-H]- 547.26158 248.9
[M+NH4]+ 566.30268 235.0
[M+K]+ 587.23202 231.8
[M+H-H2O]+ 531.26612 221.3
[M+HCOO]- 593.26706 252.2
[M+CH3COO]- 607.28271 243.5
[M+Na-2H]- 569.24353 244.0
[M]+ 548.26831 238.7
[M]- 548.26941 238.7
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.