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]+ 293.201216 171.3
[M+Na]+ 315.183158 175.6
[M-H]- 291.186664 174.8
[M+NH4]+ 310.227763 185.1
[M+K]+ 331.157098 168.9
[M+H-H2O]+ 275.191200 160.1
[M+HCOO]- 337.192141 184.4
[M+CH3COO]- 351.207791 179.8
[M+Na-2H]- 313.168606 176.4
[M]+ 292.19339142 165.4
[M]- 292.19448858 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.