CID 117368

1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3h-pyrazino[1,2-a]quinolin-3-yl)butan-2-one dihydrochloride

Structural Information

Molecular Formula
C22H25FN2O
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C22H25FN2O/c23-19-8-5-17(6-9-19)15-21(26)11-12-24-13-14-25-20(16-24)10-7-18-3-1-2-4-22(18)25/h1-6,8-9,20H,7,10-16H2
InChIKey
WIARTRBUKNOPBJ-UHFFFAOYSA-N
Compound name
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1951 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20238 186.8
[M+Na]+ 375.18432 190.9
[M-H]- 351.18782 188.9
[M+NH4]+ 370.22892 198.0
[M+K]+ 391.15826 183.8
[M+H-H2O]+ 335.19236 174.4
[M+HCOO]- 397.19330 197.3
[M+CH3COO]- 411.20895 193.8
[M+Na-2H]- 373.16977 188.2
[M]+ 352.19455 181.0
[M]- 352.19565 181.0
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

No patent data available for this compound.