CID 258179

6,7-diphenyldibenzo[e,g][1,4]diazocine

Structural Information

Molecular Formula
C26H18N2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=CC=CC=C4N=C2C5=CC=CC=C5
InChI
InChI=1S/C26H18N2/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)28-24-18-10-8-16-22(24)21-15-7-9-17-23(21)27-25/h1-18H
InChIKey
UDZBOPAKQDVWOP-UHFFFAOYSA-N
Compound name
9,10-diphenyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.147 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15428 171.6
[M+Na]+ 381.13622 176.8
[M-H]- 357.13972 175.3
[M+NH4]+ 376.18082 176.4
[M+K]+ 397.11016 173.5
[M+H-H2O]+ 341.14426 164.8
[M+HCOO]- 403.14520 179.6
[M+CH3COO]- 417.16085 175.0
[M+Na-2H]- 379.12167 172.9
[M]+ 358.14645 170.9
[M]- 358.14755 170.9
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

patents stripe