PubChemLite - Latifoline (funtumia) (C22H35NO)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]2CC[C@@H]3C2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)CN1C

InChI

InChI=1S/C22H35NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h4,14,16-20,24H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22?/m0/s1

InChIKey

KCXUKADVTVDPOM-HEBIFMERSA-N

Compound name

(1R,2S,5S,6S,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-ol

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]+	330.27913	186.5
[M+Na]+	352.26107	191.2
[M-H]-	328.26457	189.6
[M+NH4]+	347.30567	209.6
[M+K]+	368.23501	184.0
[M+H-H2O]+	312.26911	179.0
[M+HCOO]-	374.27005	192.8
[M+CH3COO]-	388.28570	194.3
[M+Na-2H]-	350.24652	182.5
[M]+	329.27130	178.1
[M]-	329.27240	178.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.27913

186.5

[M+Na]+

352.26107

191.2

[M-H]-

328.26457

189.6

[M+NH4]+

347.30567

209.6

[M+K]+

368.23501

184.0

[M+H-H2O]+

312.26911

179.0

[M+HCOO]-

374.27005

192.8

[M+CH3COO]-

388.28570

194.3

[M+Na-2H]-

350.24652

182.5

[M]+

329.27130

178.1

[M]-

329.27240

178.1

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

Latifoline (funtumia)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe