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 228.4
[M+Na]+ 465.23012 231.6
[M-H]- 441.23362 239.1
[M+NH4]+ 460.27472 231.6
[M+K]+ 481.20406 210.9
[M+H-H2O]+ 425.23816 217.5
[M+HCOO]- 487.23910 244.6
[M+CH3COO]- 501.25475 220.1
[M+Na-2H]- 463.21557 233.8
[M]+ 442.24035 223.9
[M]- 442.24145 223.9
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.