CID 16073090

[1,1':4',1''-terphenyl]-3,3''-dimethanamine, n,n,n',n'-tetrakis[(1,6-dihydro-2-pyridinyl)methyl]-, zinc salt (1:2)

Structural Information

Molecular Formula
C44H48N6
SMILES
C1C=CC=C(N1)CN(CC2=CC(=CC=C2)C3=CC=C(C=C3)C4=CC=CC(=C4)CN(CC5=CC=CCN5)CC6=CC=CCN6)CC7=CC=CCN7
InChI
InChI=1S/C44H48N6/c1-5-23-45-41(15-1)31-49(32-42-16-2-6-24-46-42)29-35-11-9-13-39(27-35)37-19-21-38(22-20-37)40-14-10-12-36(28-40)30-50(33-43-17-3-7-25-47-43)34-44-18-4-8-26-48-44/h1-22,27-28,45-48H,23-26,29-34H2
InChIKey
ZYNSOASUUTYHPA-UHFFFAOYSA-N
Compound name
1-[3-[4-[3-[[bis(1,2-dihydropyridin-6-ylmethyl)amino]methyl]phenyl]phenyl]phenyl]-N,N-bis(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

660.39404 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.40132 245.8
[M+Na]+ 683.38326 239.7
[M-H]- 659.38676 253.5
[M+NH4]+ 678.42786 234.6
[M+K]+ 699.35720 227.2
[M+H-H2O]+ 643.39130 226.8
[M+HCOO]- 705.39224 250.6
[M+CH3COO]- 719.40789 243.4
[M+Na-2H]- 681.36871 245.3
[M]+ 660.39349 232.2
[M]- 660.39459 232.2
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.