CID 215675

Brn 0623204

Structural Information

Molecular Formula

C₂₃H₃₀N₂

SMILES

C1CCN2CCN(CC2C1)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)14-16-24-17-18-25-15-8-7-13-22(25)19-24/h1-6,9-12,22-23H,7-8,13-19H2

InChIKey

MKOCKDODWQYNOM-UHFFFAOYSA-N

Compound name

2-(3,3-diphenylpropyl)-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: 334.2409 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.248176	184.2
[M+Na]+	357.230118	184.7
[M-H]-	333.233624	188.7
[M+NH4]+	352.274723	194.3
[M+K]+	373.204058	178.1
[M+H-H2O]+	317.238160	171.8
[M+HCOO]-	379.239101	195.4
[M+CH3COO]-	393.254751	190.7
[M+Na-2H]-	355.215566	185.6
[M]+	334.24035142	175.4
[M]-	334.24144858	175.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.