CID 113717

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

Structural Information

Molecular Formula
C21H26N2
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCCC4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-2-7-18(8-3-1)9-6-14-22-15-16-23-20(17-22)13-12-19-10-4-5-11-21(19)23/h1-5,7-8,10-11,20H,6,9,12-17H2
InChIKey
RGKRJYHMIDCENJ-UHFFFAOYSA-N
Compound name
3-(3-phenylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.2096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 177.9
[M+Na]+ 329.19882 193.1
[M+NH4]+ 324.24342 188.1
[M+K]+ 345.17276 182.1
[M-H]- 305.20232 183.8
[M+Na-2H]- 327.18427 185.5
[M]+ 306.20905 182.0
[M]- 306.21015 182.0
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