PubChemLite - Funtumine (C21H35NO)

Structural Information

Molecular Formula

SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C

InChI

InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

POWBIOMTXFDIOP-SYBPFIFISA-N

Compound name

1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

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]+	318.27913	182.2
[M+Na]+	340.26107	189.2
[M+NH4]+	335.30567	194.7
[M+K]+	356.23501	180.0
[M-H]-	316.26457	185.3
[M+Na-2H]-	338.24652	183.3
[M]+	317.27130	184.1
[M]-	317.27240	184.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

318.27913

182.2

[M+Na]+

340.26107

189.2

[M+NH4]+

335.30567

194.7

[M+K]+

356.23501

180.0

[M-H]-

316.26457

185.3

[M+Na-2H]-

338.24652

183.3

[M]+

317.27130

184.1

[M]-

317.27240

184.1

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

Funtumine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe