CID 90974

23766-82-7

Structural Information

Molecular Formula
C20H24N2
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C20H24N2/c1-2-6-17(7-3-1)12-13-21-14-15-22-19(16-21)11-10-18-8-4-5-9-20(18)22/h1-9,19H,10-16H2
InChIKey
VMTZJKLDWNWMSQ-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 173.4
[M+Na]+ 315.18316 188.8
[M+NH4]+ 310.22776 183.8
[M+K]+ 331.15710 178.0
[M-H]- 291.18666 179.3
[M+Na-2H]- 313.16861 181.3
[M]+ 292.19339 177.5
[M]- 292.19449 177.5
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.