CID 3458532

54787-29-0

Structural Information

Molecular Formula
C36H30N4
SMILES
C[N+]1=C(C=C(C=C1C2=CC=CC=C2)N=NC3=CC(=[N+](C(=C3)C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H30N4/c1-39-33(27-15-7-3-8-16-27)23-31(24-34(39)28-17-9-4-10-18-28)37-38-32-25-35(29-19-11-5-12-20-29)40(2)36(26-32)30-21-13-6-14-22-30/h3-26H,1-2H3/q+2
InChIKey
KGZDGVKDRKQYBA-UHFFFAOYSA-N
Compound name
bis(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.2471 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.25438 248.7
[M+Na]+ 541.23632 252.7
[M-H]- 517.23982 264.8
[M+NH4]+ 536.28092 249.3
[M+K]+ 557.21026 232.3
[M+H-H2O]+ 501.24436 235.1
[M+HCOO]- 563.24530 268.6
[M+CH3COO]- 577.26095 242.7
[M+Na-2H]- 539.22177 254.1
[M]+ 518.24655 245.2
[M]- 518.24765 245.2
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.