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 171.3
[M+Na]+ 315.18316 175.6
[M-H]- 291.18666 174.8
[M+NH4]+ 310.22776 185.1
[M+K]+ 331.15710 168.9
[M+H-H2O]+ 275.19120 160.1
[M+HCOO]- 337.19214 184.4
[M+CH3COO]- 351.20779 179.8
[M+Na-2H]- 313.16861 176.4
[M]+ 292.19339 165.4
[M]- 292.19449 165.4
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.