CID 582581

1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CC2(CCC1(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17,20-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
OHTYVHWSSUUPHV-UHFFFAOYSA-N
Compound name
1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 159.5
[M+Na]+ 285.136218 164.8
[M-H]- 261.139724 159.7
[M+NH4]+ 280.180823 180.5
[M+K]+ 301.110158 159.0
[M+H-H2O]+ 245.144260 147.5
[M+HCOO]- 307.145201 170.4
[M+CH3COO]- 321.160851 168.6
[M+Na-2H]- 283.121666 173.4
[M]+ 262.14645142 158.9
[M]- 262.14754858 158.9
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.