CID 162147

Aloperine

Structural Information

Molecular Formula
C15H24N2
SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4
InChI
InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1
InChIKey
SKOLRLSBMUGVOY-GBJTYRQASA-N
Compound name
(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

79
References

249
Patents

232.19395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 154.0
[M+Na]+ 255.18317 156.2
[M-H]- 231.18667 151.8
[M+NH4]+ 250.22777 171.3
[M+K]+ 271.15711 150.6
[M+H-H2O]+ 215.19121 144.9
[M+HCOO]- 277.19215 159.7
[M+CH3COO]- 291.20780 161.5
[M+Na-2H]- 253.16862 158.7
[M]+ 232.19340 142.3
[M]- 232.19450 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe