CID 117363

1h-pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(2-hydroxy-3-(p-propionylphenoxy)propyl)-, hydrochloride

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN3C(C2)CCC4=CC=CC=C43)O
InChI
InChI=1S/C24H30N2O3/c1-2-24(28)19-8-11-22(12-9-19)29-17-21(27)16-25-13-14-26-20(15-25)10-7-18-5-3-4-6-23(18)26/h3-6,8-9,11-12,20-21,27H,2,7,10,13-17H2,1H3
InChIKey
BOGATCKDKAEGLV-UHFFFAOYSA-N
Compound name
1-[4-[3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 197.2
[M+Na]+ 417.214868 199.1
[M-H]- 393.218374 199.0
[M+NH4]+ 412.259473 205.7
[M+K]+ 433.188808 193.6
[M+H-H2O]+ 377.222910 185.9
[M+HCOO]- 439.223851 205.9
[M+CH3COO]- 453.239501 202.9
[M+Na-2H]- 415.200316 197.2
[M]+ 394.22510142 193.6
[M]- 394.22619858 193.6
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.