CID 16073080

2-pyridinemethanamine, n-[(1,6-dihydro-2-pyridinyl)methyl]-1,6-dihydro-n-[(5'-methyl[2,2'-bipyridin]-5-yl)methyl]-, zinc salt (1:1)

Structural Information

Molecular Formula
C24H27N5
SMILES
CC1=CN=C(C=C1)C2=NC=C(C=C2)CN(CC3=CC=CCN3)CC4=CC=CCN4
InChI
InChI=1S/C24H27N5/c1-19-8-10-23(27-14-19)24-11-9-20(15-28-24)16-29(17-21-6-2-4-12-25-21)18-22-7-3-5-13-26-22/h2-11,14-15,25-26H,12-13,16-18H2,1H3
InChIKey
HOMUGXKCLAXZHG-UHFFFAOYSA-N
Compound name
N,N-bis(1,2-dihydropyridin-6-ylmethyl)-1-[6-(5-methylpyridin-2-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.22665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23393 195.1
[M+Na]+ 408.21587 197.9
[M-H]- 384.21937 199.3
[M+NH4]+ 403.26047 198.5
[M+K]+ 424.18981 188.9
[M+H-H2O]+ 368.22391 180.9
[M+HCOO]- 430.22485 208.4
[M+CH3COO]- 444.24050 200.7
[M+Na-2H]- 406.20132 198.9
[M]+ 385.22610 188.7
[M]- 385.22720 188.7
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.