CID 16073076

[2,2'-bipyridine]-4,4'-dimethanamine, n,n,n',n'-tetrakis[(1,6-dihydro-2-pyridinyl)methyl]-, zinc salt (1:2)

Structural Information

Molecular Formula
C36H42N8
SMILES
C1C=CC=C(N1)CN(CC2=CC(=NC=C2)C3=NC=CC(=C3)CN(CC4=CC=CCN4)CC5=CC=CCN5)CC6=CC=CCN6
InChI
InChI=1S/C36H42N8/c1-5-15-37-31(9-1)25-43(26-32-10-2-6-16-38-32)23-29-13-19-41-35(21-29)36-22-30(14-20-42-36)24-44(27-33-11-3-7-17-39-33)28-34-12-4-8-18-40-34/h1-14,19-22,37-40H,15-18,23-28H2
InChIKey
TZLKQAWDFWVRPS-UHFFFAOYSA-N
Compound name
1-[2-[4-[[bis(1,2-dihydropyridin-6-ylmethyl)amino]methyl]pyridin-2-yl]pyridin-4-yl]-N,N-bis(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

586.3533 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.36058 228.8
[M+Na]+ 609.34252 224.6
[M-H]- 585.34602 232.7
[M+NH4]+ 604.38712 218.7
[M+K]+ 625.31646 212.4
[M+H-H2O]+ 569.35056 210.7
[M+HCOO]- 631.35150 233.1
[M+CH3COO]- 645.36715 227.5
[M+Na-2H]- 607.32797 231.3
[M]+ 586.35275 216.4
[M]- 586.35385 216.4
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.