CID 258537

75564-22-6

Structural Information

Molecular Formula
C28H20N4
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)30-32-28(24-19-11-4-12-20-24)27(31-29-25)23-17-9-3-10-18-23/h1-20H
InChIKey
CFTFRXWBXHLEJY-UHFFFAOYSA-N
Compound name
3,4,7,8-tetraphenyl-1,2,5,6-tetrazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17608 170.7
[M+Na]+ 435.15802 175.4
[M-H]- 411.16152 174.8
[M+NH4]+ 430.20262 172.2
[M+K]+ 451.13196 171.6
[M+H-H2O]+ 395.16606 162.9
[M+HCOO]- 457.16700 178.4
[M+CH3COO]- 471.18265 173.6
[M+Na-2H]- 433.14347 171.9
[M]+ 412.16825 169.5
[M]- 412.16935 169.5
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.