CID 117359

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

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CC(CC4=CC=CC=C4)O
InChI
InChI=1S/C21H26N2O/c24-20(14-17-6-2-1-3-7-17)16-22-12-13-23-19(15-22)11-10-18-8-4-5-9-21(18)23/h1-9,19-20,24H,10-16H2
InChIKey
QFPIVBGYYRTCDR-UHFFFAOYSA-N
Compound name
1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 178.7
[M+Na]+ 345.193718 181.6
[M-H]- 321.197224 180.7
[M+NH4]+ 340.238323 190.4
[M+K]+ 361.167658 175.1
[M+H-H2O]+ 305.201760 167.8
[M+HCOO]- 367.202701 189.1
[M+CH3COO]- 381.218351 185.9
[M+Na-2H]- 343.179166 181.9
[M]+ 322.20395142 172.2
[M]- 322.20504858 172.2
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.