CID 16073096

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

Structural Information

Molecular Formula
C32H40N6
SMILES
C1C=C(C=CN1)CN(CC2=CCNC=C2)CC3=CC=C(C=C3)CN(CC4=CCNC=C4)CC5=CCNC=C5
InChI
InChI=1S/C32H40N6/c1-2-28(22-38(25-31-9-17-35-18-10-31)26-32-11-19-36-20-12-32)4-3-27(1)21-37(23-29-5-13-33-14-6-29)24-30-7-15-34-16-8-30/h1-13,15,17,19,33-36H,14,16,18,20-26H2
InChIKey
RYWCJTLWDWVULP-UHFFFAOYSA-N
Compound name
N-[[4-[[bis(1,2-dihydropyridin-4-ylmethyl)amino]methyl]phenyl]methyl]-1-(1,2-dihydropyridin-4-yl)-N-(1,2-dihydropyridin-4-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.33145 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.33873 216.5
[M+Na]+ 531.32067 212.1
[M-H]- 507.32417 220.1
[M+NH4]+ 526.36527 212.5
[M+K]+ 547.29461 201.8
[M+H-H2O]+ 491.32871 200.6
[M+HCOO]- 553.32965 224.1
[M+CH3COO]- 567.34530 217.2
[M+Na-2H]- 529.30612 218.1
[M]+ 508.33090 204.1
[M]- 508.33200 204.1
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.