PubChemLite - Conessine (C24H40N2)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C

InChI

InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1

InChIKey

GPLGAQQQNWMVMM-MYAJQUOBSA-N

Compound name

(1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

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]+	357.32643	193.0
[M+Na]+	379.30837	200.8
[M+NH4]+	374.35297	206.4
[M+K]+	395.28231	192.5
[M-H]-	355.31187	197.2
[M+Na-2H]-	377.29382	194.1
[M]+	356.31860	195.5
[M]-	356.31970	195.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.32643

193.0

[M+Na]+

379.30837

200.8

[M+NH4]+

374.35297

206.4

[M+K]+

395.28231

192.5

[M-H]-

355.31187

197.2

[M+Na-2H]-

377.29382

194.1

[M]+

356.31860

195.5

[M]-

356.31970

195.5

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

Conessine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe