PubChemLite - Aloperine (C15H24N2)

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.20123	158.4
[M+Na]+	255.18317	169.3
[M+NH4]+	250.22777	169.1
[M+K]+	271.15711	160.7
[M-H]-	231.18667	160.6
[M+Na-2H]-	253.16862	159.4
[M]+	232.19340	160.4
[M]-	232.19450	160.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

233.20123

158.4

[M+Na]+

255.18317

169.3

[M+NH4]+

250.22777

169.1

[M+K]+

271.15711

160.7

[M-H]-

231.18667

160.6

[M+Na-2H]-

253.16862

159.4

[M]+

232.19340

160.4

[M]-

232.19450

160.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Aloperine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe