CID 117361

3-(2-(1-naphthyl)ethyl)-2,3,4,4a,5,6-hexahydro-1h-pyrazino(1,2-a)quinoline hydrochloride

Structural Information

Molecular Formula
C24H26N2
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H26N2/c1-3-10-23-19(6-1)8-5-9-20(23)14-15-25-16-17-26-22(18-25)13-12-21-7-2-4-11-24(21)26/h1-11,22H,12-18H2
InChIKey
PVBSDEKFUGWBFW-UHFFFAOYSA-N
Compound name
3-(2-naphthalen-1-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21688 187.5
[M+Na]+ 365.19882 204.3
[M+NH4]+ 360.24342 198.3
[M+K]+ 381.17276 192.3
[M-H]- 341.20232 194.5
[M+Na-2H]- 363.18427 195.2
[M]+ 342.20905 192.2
[M]- 342.21015 192.2
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.