CID 218337

Octahydro-2-(2,2-diphenylethyl)-2h-pyrido(1,2-a)pyrazine

Structural Information

Molecular Formula
C22H28N2
SMILES
C1CCN2CCN(CC2C1)CC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2/c1-3-9-19(10-4-1)22(20-11-5-2-6-12-20)18-23-15-16-24-14-8-7-13-21(24)17-23/h1-6,9-12,21-22H,7-8,13-18H2
InChIKey
HNNDWBXYQGMQBQ-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 179.9
[M+Na]+ 343.214468 180.8
[M-H]- 319.217974 184.6
[M+NH4]+ 338.259073 190.5
[M+K]+ 359.188408 174.5
[M+H-H2O]+ 303.222510 167.6
[M+HCOO]- 365.223451 191.4
[M+CH3COO]- 379.239101 186.8
[M+Na-2H]- 341.199916 181.8
[M]+ 320.22470142 170.8
[M]- 320.22579858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.