CID 117392

Brn 0922772

Structural Information

Molecular Formula
C18H29N3
SMILES
CCN(CC)CCN1CCN2C(C1)CCC3=CC=CC=C32
InChI
InChI=1S/C18H29N3/c1-3-19(4-2)11-12-20-13-14-21-17(15-20)10-9-16-7-5-6-8-18(16)21/h5-8,17H,3-4,9-15H2,1-2H3
InChIKey
KCDMRGIXVODWCZ-UHFFFAOYSA-N
Compound name
2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.23615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.24343 172.0
[M+Na]+ 310.22537 175.1
[M-H]- 286.22887 173.7
[M+NH4]+ 305.26997 187.0
[M+K]+ 326.19931 171.1
[M+H-H2O]+ 270.23341 161.9
[M+HCOO]- 332.23435 186.1
[M+CH3COO]- 346.25000 210.7
[M+Na-2H]- 308.21082 175.8
[M]+ 287.23560 168.8
[M]- 287.23670 168.8
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.