CID 24844750

102584-21-4

Structural Information

Molecular Formula
C32H30N2
SMILES
C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)CC5=CC=CC=C5
InChI
InChI=1S/C32H30N2/c1-3-7-27(8-4-1)23-29-15-19-33(20-16-29)25-31-11-13-32(14-12-31)26-34-21-17-30(18-22-34)24-28-9-5-2-6-10-28/h1-22H,23-26H2/q+2
InChIKey
UAXADBXNJBOVCJ-UHFFFAOYSA-N
Compound name
4-benzyl-1-[[4-[(4-benzylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2409 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24818 215.9
[M+Na]+ 465.23012 240.5
[M+NH4]+ 460.27472 227.0
[M+K]+ 481.20406 227.3
[M-H]- 441.23362 231.0
[M+Na-2H]- 463.21557 234.0
[M]+ 442.24035 225.1
[M]- 442.24145 225.1
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.