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

7
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 166.8
[M+Na]+ 301.167498 171.5
[M-H]- 277.171004 170.5
[M+NH4]+ 296.212103 181.2
[M+K]+ 317.141438 165.1
[M+H-H2O]+ 261.175540 155.8
[M+HCOO]- 323.176481 180.3
[M+CH3COO]- 337.192131 175.8
[M+Na-2H]- 299.152946 172.5
[M]+ 278.17773142 160.6
[M]- 278.17882858 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