CID 117357

1h-pyrazino(1,2-a)quinoline, 3-benzyl-2,3,4,4a,5,6-hexahydro-, dihydrochloride

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C19H22N2/c1-2-6-16(7-3-1)14-20-12-13-21-18(15-20)11-10-17-8-4-5-9-19(17)21/h1-9,18H,10-15H2
InChIKey
LNSPASUFPVDWKH-UHFFFAOYSA-N
Compound name
3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 166.8
[M+Na]+ 301.16750 171.5
[M-H]- 277.17100 170.5
[M+NH4]+ 296.21210 181.2
[M+K]+ 317.14144 165.1
[M+H-H2O]+ 261.17554 155.8
[M+HCOO]- 323.17648 180.3
[M+CH3COO]- 337.19213 175.8
[M+Na-2H]- 299.15295 172.5
[M]+ 278.17773 160.6
[M]- 278.17883 160.6
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

patents stripe