CID 5083618

18941-71-4

Structural Information

Molecular Formula
C36H30N2
SMILES
C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC(=[N+](C(=C3)C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H30N2/c1-37-33(27-15-7-3-8-16-27)23-31(24-34(37)28-17-9-4-10-18-28)32-25-35(29-19-11-5-12-20-29)38(2)36(26-32)30-21-13-6-14-22-30/h3-26H,1-2H3/q+2
InChIKey
MACZMPWYWGMBMI-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)-2,6-diphenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.2409 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.24818 245.4
[M+Na]+ 513.23012 250.0
[M-H]- 489.23362 259.3
[M+NH4]+ 508.27472 246.5
[M+K]+ 529.20406 228.7
[M+H-H2O]+ 473.23816 232.7
[M+HCOO]- 535.23910 260.5
[M+CH3COO]- 549.25475 230.8
[M+Na-2H]- 511.21557 248.1
[M]+ 490.24035 240.3
[M]- 490.24145 240.3
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.