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]+ 323.21178 178.7
[M+Na]+ 345.19372 181.6
[M-H]- 321.19722 180.7
[M+NH4]+ 340.23832 190.4
[M+K]+ 361.16766 175.1
[M+H-H2O]+ 305.20176 167.8
[M+HCOO]- 367.20270 189.1
[M+CH3COO]- 381.21835 185.9
[M+Na-2H]- 343.17917 181.9
[M]+ 322.20395 172.2
[M]- 322.20505 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.