CID 16073074

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

Structural Information

Molecular Formula
C38H44N6
SMILES
C1C=CC=C(N1)CN(CC2=CC=C(C=C2)C3=CC=C(C=C3)CN(CC4=CC=CCN4)CC5=CC=CCN5)CC6=CC=CCN6
InChI
InChI=1S/C38H44N6/c1-5-21-39-35(9-1)27-43(28-36-10-2-6-22-40-36)25-31-13-17-33(18-14-31)34-19-15-32(16-20-34)26-44(29-37-11-3-7-23-41-37)30-38-12-4-8-24-42-38/h1-20,39-42H,21-30H2
InChIKey
GHQGCFWZCNFURQ-UHFFFAOYSA-N
Compound name
1-[4-[4-[[bis(1,2-dihydropyridin-6-ylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

584.36273 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.37001 231.9
[M+Na]+ 607.35195 226.7
[M-H]- 583.35545 237.7
[M+NH4]+ 602.39655 224.3
[M+K]+ 623.32589 215.1
[M+H-H2O]+ 567.35999 214.5
[M+HCOO]- 629.36093 238.2
[M+CH3COO]- 643.37658 231.1
[M+Na-2H]- 605.33740 232.5
[M]+ 584.36218 219.0
[M]- 584.36328 219.0
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.