CID 3044374

Brn 1196963

Structural Information

Molecular Formula
C37H34N6
SMILES
C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC(=N3)CCCCCCCC4=NC(=CC=C4)C5=CC=CC(=N5)C6=CC=CC=N6
InChI
InChI=1S/C37H34N6/c1(2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30)3-5-15-29-17-11-21-35(41-29)37-25-13-23-33(43-37)31-19-7-9-27-39-31/h6-13,16-27H,1-5,14-15H2
InChIKey
RRWVXDUFMDIROD-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]heptyl]pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.2845 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.29178 245.9
[M+Na]+ 585.27372 267.6
[M+NH4]+ 580.31832 251.6
[M+K]+ 601.24766 253.6
[M-H]- 561.27722 256.9
[M+Na-2H]- 583.25917 262.1
[M]+ 562.28395 252.6
[M]- 562.28505 252.6
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.