CID 16073086

9,10-anthracenedimethanamine, n,n,n',n'-tetrakis[(1,6-dihydro-2-pyridinyl)methyl]-, zinc salt (1:2)

Structural Information

Molecular Formula
C40H44N6
SMILES
C1C=CC=C(N1)CN(CC2=CC=CCN2)CC3=C4C=CC=CC4=C(C5=CC=CC=C53)CN(CC6=CC=CCN6)CC7=CC=CCN7
InChI
InChI=1S/C40H44N6/c1-2-18-36-35(17-1)39(29-45(25-31-13-5-9-21-41-31)26-32-14-6-10-22-42-32)37-19-3-4-20-38(37)40(36)30-46(27-33-15-7-11-23-43-33)28-34-16-8-12-24-44-34/h1-20,41-44H,21-30H2
InChIKey
SMRSIRGYDRQIBP-UHFFFAOYSA-N
Compound name
N-[[10-[[bis(1,2-dihydropyridin-6-ylmethyl)amino]methyl]anthracen-9-yl]methyl]-1-(1,2-dihydropyridin-6-yl)-N-(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

608.36273 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.37001 234.2
[M+Na]+ 631.35195 231.0
[M-H]- 607.35545 238.9
[M+NH4]+ 626.39655 227.9
[M+K]+ 647.32589 218.8
[M+H-H2O]+ 591.35999 216.7
[M+HCOO]- 653.36093 239.1
[M+CH3COO]- 667.37658 233.5
[M+Na-2H]- 629.33740 237.5
[M]+ 608.36218 223.5
[M]- 608.36328 223.5
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.