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]+ 395.23293 197.2
[M+Na]+ 417.21487 199.1
[M-H]- 393.21837 199.0
[M+NH4]+ 412.25947 205.7
[M+K]+ 433.18881 193.6
[M+H-H2O]+ 377.22291 185.9
[M+HCOO]- 439.22385 205.9
[M+CH3COO]- 453.23950 202.9
[M+Na-2H]- 415.20032 197.2
[M]+ 394.22510 193.6
[M]- 394.22620 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.