CID 16073082

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

Structural Information

Molecular Formula
C36H42N6
SMILES
C1C=CC=C(N1)CN(CC2=CC=C(C3=CC=CC=C23)CN(CC4=CC=CCN4)CC5=CC=CCN5)CC6=CC=CCN6
InChI
InChI=1S/C36H42N6/c1-2-16-36-30(24-42(27-33-13-5-9-21-39-33)28-34-14-6-10-22-40-34)18-17-29(35(36)15-1)23-41(25-31-11-3-7-19-37-31)26-32-12-4-8-20-38-32/h1-18,37-40H,19-28H2
InChIKey
KTUNDNMOPZTJEQ-UHFFFAOYSA-N
Compound name
1-[4-[[bis(1,2-dihydropyridin-6-ylmethyl)amino]methyl]naphthalen-1-yl]-N,N-bis(1,2-dihydropyridin-6-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

558.3471 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.35438 225.9
[M+Na]+ 581.33632 221.7
[M-H]- 557.33982 229.8
[M+NH4]+ 576.38092 220.7
[M+K]+ 597.31026 210.4
[M+H-H2O]+ 541.34436 209.2
[M+HCOO]- 603.34530 231.5
[M+CH3COO]- 617.36095 225.6
[M+Na-2H]- 579.32177 227.8
[M]+ 558.34655 213.7
[M]- 558.34765 213.7
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.