CID 89511

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

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC(=O)CCN1CCN2C(C1)CCC3=CC=CC=C32
InChI
InChI=1S/C16H22N2O/c1-13(19)8-9-17-10-11-18-15(12-17)7-6-14-4-2-3-5-16(14)18/h2-5,15H,6-12H2,1H3
InChIKey
NTOLKNYVWGUKBH-UHFFFAOYSA-N
Compound name
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.17322 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.2
[M+Na]+ 281.16244 166.8
[M-H]- 257.16594 163.0
[M+NH4]+ 276.20704 177.9
[M+K]+ 297.13638 162.5
[M+H-H2O]+ 241.17048 153.1
[M+HCOO]- 303.17142 174.8
[M+CH3COO]- 317.18707 171.4
[M+Na-2H]- 279.14789 166.1
[M]+ 258.17267 157.9
[M]- 258.17377 157.9
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